N-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide

C22H31N7O — CID 163584738

IUPACN-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide
SMILESCc1nc(NC2CC2)nc(N)c1NC(=O)CNCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C22H31N7O/c1-15-20(21(23)28-22(25-15)26-18-7-8-18)27-19(30)13-24-12-16-5-4-6-17(11-16)14-29-9-2-3-10-29/h4-6,11,18,24H,2-3,7-10,12-14H2,1H3,(H,27,30)(H3,23,25,26,28)
InChIKeyGKODIVQFEKRXPU-UHFFFAOYSA-N
MW409.54 g/mol
LogP2.27
Rot. Bonds9

About N-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide

N-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide (PubChem CID 163584738) has the molecular formula C22H31N7O and a molecular weight of 409.54 g/mol. Its IUPAC name is N-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide.

Molecular Properties

Compound NameN-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide
PubChem CID163584738
Molecular FormulaC22H31N7O
Molecular Weight409.54 g/mol
Exact Mass409.26
IUPAC NameN-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide
SMILESCc1nc(NC2CC2)nc(N)c1NC(=O)CNCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C22H31N7O/c1-15-20(21(23)28-22(25-15)26-18-7-8-18)27-19(30)13-24-12-16-5-4-6-17(11-16)14-29-9-2-3-10-29/h4-6,11,18,24H,2-3,7-10,12-14H2,1H3,(H,27,30)(H3,23,25,26,28)
InChIKeyGKODIVQFEKRXPU-UHFFFAOYSA-N
XLogP2.27
TPSA108.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide 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

2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid
CID 126604086
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
2-N-[1-[[3-(methoxymethyl)phenyl]methyl]piperidin-4-yl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670711
3-[[[3-(azepan-1-ylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122030822
5,7-dimethyl-2-N-[1-[(3-methylsulfinylphenyl)methyl]piperidin-4-yl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 176670811
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62974479
2-(4-aminophenyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
CID 119847246
(3R)-1-[[3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552710
2-amino-2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 119847245
1-[(4-methylphenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917625
1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125866

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide?
The IUPAC name of N-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide (CID 163584738) is N-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide.
What is the SMILES notation for N-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide?
The canonical SMILES for N-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide is Cc1nc(NC2CC2)nc(N)c1NC(=O)CNCc1cccc(CN2CCCC2)c1.
What is the InChIKey of N-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide?
The InChIKey is GKODIVQFEKRXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O/c1-15-20(21(23)28-22(25-15)26-18-7-8-18)27-19(30)13-24-12-16-5-4-6-17(11-16)14-29-9-2-3-10-29/h4-6,11,18,24H,2-3,7-10,12-14H2,1H3,(H,27,30)(H3,23,25,26,28).
What are the key properties of N-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide?
N-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide has a molecular weight of 409.54 g/mol, XLogP of 2.27, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(cyclopropylamino)-6-methylpyrimidin-5-yl]-2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide is sourced from PubChem (CID 163584738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).