4-N-propan-2-yl-2-N-(3-pyridin-3-ylphenyl)pyrimidine-2,4-diamine

C18H19N5 — CID 131801163

IUPAC4-N-propan-2-yl-2-N-(3-pyridin-3-ylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)Nc1ccnc(Nc2cccc(-c3cccnc3)c2)n1
InChIInChI=1S/C18H19N5/c1-13(2)21-17-8-10-20-18(23-17)22-16-7-3-5-14(11-16)15-6-4-9-19-12-15/h3-13H,1-2H3,(H2,20,21,22,23)
InChIKeyJTFUPGNZUPRHCZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.10
Rot. Bonds5

About 4-N-propan-2-yl-2-N-(3-pyridin-3-ylphenyl)pyrimidine-2,4-diamine

4-N-propan-2-yl-2-N-(3-pyridin-3-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 131801163) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-N-propan-2-yl-2-N-(3-pyridin-3-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-propan-2-yl-2-N-(3-pyridin-3-ylphenyl)pyrimidine-2,4-diamine
PubChem CID131801163
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name4-N-propan-2-yl-2-N-(3-pyridin-3-ylphenyl)pyrimidine-2,4-diamine
SMILESCC(C)Nc1ccnc(Nc2cccc(-c3cccnc3)c2)n1
InChIInChI=1S/C18H19N5/c1-13(2)21-17-8-10-20-18(23-17)22-16-7-3-5-14(11-16)15-6-4-9-19-12-15/h3-13H,1-2H3,(H2,20,21,22,23)
InChIKeyJTFUPGNZUPRHCZ-UHFFFAOYSA-N
XLogP4.10
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
(2S)-2-[[2-(3-fluoroanilino)pyrimidin-4-yl]amino]propan-1-ol
CID 134158145
2-N-phenyl-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112890568
4-N-propan-2-yl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112882085
2-N-(2-tert-butylphenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882053
3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347156
1-phenyl-2-(3-pyridin-3-ylphenyl)hydrazine
CID 162041560
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
2-N-(3-pyridin-3-ylphenyl)benzene-1,2-diamine
CID 155166401
N-methyl-4-pyridin-3-ylpyridin-2-amine
CID 56965171
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
4-N-(3-methylbutyl)-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112900149

Frequently Asked Questions

What is the IUPAC name of 4-N-propan-2-yl-2-N-(3-pyridin-3-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-propan-2-yl-2-N-(3-pyridin-3-ylphenyl)pyrimidine-2,4-diamine (CID 131801163) is 4-N-propan-2-yl-2-N-(3-pyridin-3-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-propan-2-yl-2-N-(3-pyridin-3-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-propan-2-yl-2-N-(3-pyridin-3-ylphenyl)pyrimidine-2,4-diamine is CC(C)Nc1ccnc(Nc2cccc(-c3cccnc3)c2)n1.
What is the InChIKey of 4-N-propan-2-yl-2-N-(3-pyridin-3-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is JTFUPGNZUPRHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-13(2)21-17-8-10-20-18(23-17)22-16-7-3-5-14(11-16)15-6-4-9-19-12-15/h3-13H,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-propan-2-yl-2-N-(3-pyridin-3-ylphenyl)pyrimidine-2,4-diamine?
4-N-propan-2-yl-2-N-(3-pyridin-3-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 305.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propan-2-yl-2-N-(3-pyridin-3-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 131801163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).