3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine

C17H17N5 — CID 14347136

IUPAC3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine
SMILESCN(C)c1cccc(Nc2nccc(-c3ccncc3)n2)c1
InChIInChI=1S/C17H17N5/c1-22(2)15-5-3-4-14(12-15)20-17-19-11-8-16(21-17)13-6-9-18-10-7-13/h3-12H,1-2H3,(H,19,20,21)
InChIKeyPODSLZWJUIHKGF-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.35
Rot. Bonds4

About 3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine

3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine (PubChem CID 14347136) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine
PubChem CID14347136
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine
SMILESCN(C)c1cccc(Nc2nccc(-c3ccncc3)n2)c1
InChIInChI=1S/C17H17N5/c1-22(2)15-5-3-4-14(12-15)20-17-19-11-8-16(21-17)13-6-9-18-10-7-13/h3-12H,1-2H3,(H,19,20,21)
InChIKeyPODSLZWJUIHKGF-UHFFFAOYSA-N
XLogP3.35
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 14347000
2-[3-(dimethylamino)anilino]pyrimidine-4-carbothioamide
CID 107547845
1-N-[4-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 68566343
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
2-[[2-[3-(dimethylamino)anilino]pyrimidin-4-yl]amino]ethanol
CID 117086718
4-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 11715896
3-N,3-N-dimethyl-1-N-pyridin-3-ylbenzene-1,3-diamine
CID 82537509
N-[3-[4-(dimethylamino)phenyl]phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
CID 10292744
N-(2,3-dimethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine
CID 14347046
ethane;N-(3-methylphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 90795343
3-N-[4-(3-aminophenyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 11492825
N-methyl-N-[3-[2-(3-nitrosoanilino)pyrimidin-4-yl]phenyl]methanesulfonamide
CID 89267402

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine (CID 14347136) is 3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine is CN(C)c1cccc(Nc2nccc(-c3ccncc3)n2)c1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine?
The InChIKey is PODSLZWJUIHKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-22(2)15-5-3-4-14(12-15)20-17-19-11-8-16(21-17)13-6-9-18-10-7-13/h3-12H,1-2H3,(H,19,20,21).
What are the key properties of 3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine?
3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine has a molecular weight of 291.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-(4-pyridin-4-ylpyrimidin-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 14347136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).