4-N,4-N,5-trimethyl-2-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrimidine-2,4-diamine

C16H19N7 — CID 157015553

IUPAC4-N,4-N,5-trimethyl-2-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2cc(-c3cccnc3)nn2C)nc1N(C)C
InChIInChI=1S/C16H19N7/c1-11-9-18-16(20-15(11)22(2)3)19-14-8-13(21-23(14)4)12-6-5-7-17-10-12/h5-10H,1-4H3,(H,18,19,20)
InChIKeyRBTWYTCTGRDZTF-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.39
Rot. Bonds4

About 4-N,4-N,5-trimethyl-2-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrimidine-2,4-diamine

4-N,4-N,5-trimethyl-2-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrimidine-2,4-diamine (PubChem CID 157015553) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 4-N,4-N,5-trimethyl-2-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N,5-trimethyl-2-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrimidine-2,4-diamine
PubChem CID157015553
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name4-N,4-N,5-trimethyl-2-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2cc(-c3cccnc3)nn2C)nc1N(C)C
InChIInChI=1S/C16H19N7/c1-11-9-18-16(20-15(11)22(2)3)19-14-8-13(21-23(14)4)12-6-5-7-17-10-12/h5-10H,1-4H3,(H,18,19,20)
InChIKeyRBTWYTCTGRDZTF-UHFFFAOYSA-N
XLogP2.39
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-dimethoxyphenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
CID 157012323
2-N-[2-(dimethylamino)-3-pyridinyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157018593
2-N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157015650
4-N,4-N,5-trimethyl-2-N-[(2R)-1-pyridin-3-ylpropan-2-yl]pyrimidine-2,4-diamine
CID 95141969
1-methyl-N,3-diphenylpyrazol-5-amine
CID 10610632
4-N,4-N,5-trimethyl-2-N-(2-methyl-1,3-benzothiazol-6-yl)pyrimidine-2,4-diamine
CID 157019241
2-N-(6-methoxy-2-pyridinyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157019644
(5-phenyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270451
2,3-dimethyl-5-pyridin-3-ylpyridine
CID 122608541
4-N,4-N,5-trimethyl-2-N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]pyrimidine-2,4-diamine
CID 95120403
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonyl chloride
CID 87660156

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,5-trimethyl-2-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N,4-N,5-trimethyl-2-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrimidine-2,4-diamine (CID 157015553) is 4-N,4-N,5-trimethyl-2-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,4-N,5-trimethyl-2-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N,4-N,5-trimethyl-2-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrimidine-2,4-diamine is Cc1cnc(Nc2cc(-c3cccnc3)nn2C)nc1N(C)C.
What is the InChIKey of 4-N,4-N,5-trimethyl-2-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is RBTWYTCTGRDZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-11-9-18-16(20-15(11)22(2)3)19-14-8-13(21-23(14)4)12-6-5-7-17-10-12/h5-10H,1-4H3,(H,18,19,20).
What are the key properties of 4-N,4-N,5-trimethyl-2-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrimidine-2,4-diamine?
4-N,4-N,5-trimethyl-2-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 309.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,5-trimethyl-2-N-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 157015553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).