N-(2-chloro-5-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-(4-chloro-5-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-N,5-dimethyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N,5-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;methanamine

C51H53Cl2N23 — CID 157314287

IUPACN-(2-chloro-5-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-(4-chloro-5-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-N,5-dimethyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N,5-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;methanamine
SMILESCN.CNc1nc(Nc2cnc3[nH]ccc3c2)ncc1C.CNc1ncc(C)c(Nc2cnc3[nH]ccc3c2)n1.Cc1cnc(Cl)nc1Nc1cnc2[nH]ccc2c1.Cc1cnc(Nc2cnc3[nH]ccc3c2)nc1Cl
InChIInChI=1S/2C13H14N6.2C12H10ClN5.CH5N/c1-8-6-17-13(14-2)19-11(8)18-10-5-9-3-4-15-12(9)16-7-10;1-8-6-17-13(19-11(8)14-2)18-10-5-9-3-4-15-12(9)16-7-10;1-7-5-16-12(13)18-10(7)17-9-4-8-2-3-14-11(8)15-6-9;1-7-5-16-12(18-10(7)13)17-9-4-8-2-3-14-11(8)15-6-9;1-2/h2*3-7H,1-2H3,(H,15,16)(H2,14,17,18,19);2*2-6H,1H3,(H,14,15)(H,16,17,18);2H2,1H3
InChIKeyBDKFSCZSYMWATR-UHFFFAOYSA-N
MW1059.05 g/mol
LogP10.58
Rot. Bonds10

About N-(2-chloro-5-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-(4-chloro-5-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-N,5-dimethyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N,5-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;methanamine

N-(2-chloro-5-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-(4-chloro-5-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-N,5-dimethyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N,5-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;methanamine (PubChem CID 157314287) has the molecular formula C51H53Cl2N23 and a molecular weight of 1059.05 g/mol. Its IUPAC name is N-(2-chloro-5-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-(4-chloro-5-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-N,5-dimethyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N,5-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;methanamine.

Molecular Properties

Compound NameN-(2-chloro-5-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-(4-chloro-5-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-N,5-dimethyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N,5-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;methanamine
PubChem CID157314287
Molecular FormulaC51H53Cl2N23
Molecular Weight1059.05 g/mol
Exact Mass1057.42
IUPAC NameN-(2-chloro-5-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-(4-chloro-5-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-N,5-dimethyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N,5-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;methanamine
SMILESCN.CNc1nc(Nc2cnc3[nH]ccc3c2)ncc1C.CNc1ncc(C)c(Nc2cnc3[nH]ccc3c2)n1.Cc1cnc(Cl)nc1Nc1cnc2[nH]ccc2c1.Cc1cnc(Nc2cnc3[nH]ccc3c2)nc1Cl
InChIInChI=1S/2C13H14N6.2C12H10ClN5.CH5N/c1-8-6-17-13(14-2)19-11(8)18-10-5-9-3-4-15-12(9)16-7-10;1-8-6-17-13(19-11(8)14-2)18-10-5-9-3-4-15-12(9)16-7-10;1-7-5-16-12(13)18-10(7)17-9-4-8-2-3-14-11(8)15-6-9;1-7-5-16-12(18-10(7)13)17-9-4-8-2-3-14-11(8)15-6-9;1-2/h2*3-7H,1-2H3,(H,15,16)(H2,14,17,18,19);2*2-6H,1H3,(H,14,15)(H,16,17,18);2H2,1H3
InChIKeyBDKFSCZSYMWATR-UHFFFAOYSA-N
XLogP10.58
TPSA316.04 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001059.05
LogP ≤ 510.58
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Analyze N-(2-chloro-5-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-(4-chloro-5-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-N,5-dimethyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N,5-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-Methyl-1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 58395252
US11447505, Example E131
CID 165156370
US11447505, Example E171
CID 165156420
US11447505, Example E209
CID 165156488
US11447505, Example E133
CID 165156621
US11447505, Example E155
CID 165156687
US11447505, Example E134
CID 165156750
N-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purin-6-amine
CID 175581368
6-N-[(1S)-1-(4-chloro-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-3-yl)ethyl]-7H-purine-2,6-diamine
CID 176042929
4-[4-(4-methyl-5-phenyl-1H-imidazol-2-yl)-1-piperidyl]-6-(2-pyrrolidin-1-yl-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413835
4-[4-(4-methyl-5-phenyl-1H-imidazol-2-yl)-1-piperidyl]-6-[2-(4-methyl-1-piperidyl)-4-pyridyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 118413842
US11447505, Example E200
CID 165156387

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-(4-chloro-5-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-N,5-dimethyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N,5-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;methanamine?
The IUPAC name of N-(2-chloro-5-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-(4-chloro-5-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-N,5-dimethyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N,5-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;methanamine (CID 157314287) is N-(2-chloro-5-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-(4-chloro-5-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-N,5-dimethyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N,5-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;methanamine.
What is the SMILES notation for N-(2-chloro-5-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-(4-chloro-5-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-N,5-dimethyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N,5-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;methanamine?
The canonical SMILES for N-(2-chloro-5-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-(4-chloro-5-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-N,5-dimethyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N,5-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;methanamine is CN.CNc1nc(Nc2cnc3[nH]ccc3c2)ncc1C.CNc1ncc(C)c(Nc2cnc3[nH]ccc3c2)n1.Cc1cnc(Cl)nc1Nc1cnc2[nH]ccc2c1.Cc1cnc(Nc2cnc3[nH]ccc3c2)nc1Cl.
What is the InChIKey of N-(2-chloro-5-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-(4-chloro-5-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-N,5-dimethyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N,5-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;methanamine?
The InChIKey is BDKFSCZSYMWATR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H14N6.2C12H10ClN5.CH5N/c1-8-6-17-13(14-2)19-11(8)18-10-5-9-3-4-15-12(9)16-7-10;1-8-6-17-13(19-11(8)14-2)18-10-5-9-3-4-15-12(9)16-7-10;1-7-5-16-12(13)18-10(7)17-9-4-8-2-3-14-11(8)15-6-9;1-7-5-16-12(18-10(7)13)17-9-4-8-2-3-14-11(8)15-6-9;1-2/h2*3-7H,1-2H3,(H,15,16)(H2,14,17,18,19);2*2-6H,1H3,(H,14,15)(H,16,17,18);2H2,1H3.
What are the key properties of N-(2-chloro-5-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-(4-chloro-5-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-N,5-dimethyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N,5-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;methanamine?
N-(2-chloro-5-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-(4-chloro-5-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-N,5-dimethyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N,5-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;methanamine has a molecular weight of 1059.05 g/mol, XLogP of 10.58, 10 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-(4-chloro-5-methylpyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;2-N,5-dimethyl-4-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;4-N,5-dimethyl-2-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidine-2,4-diamine;methanamine is sourced from PubChem (CID 157314287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).