4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile

C15H17N5 — CID 112906997

IUPAC4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile
SMILESCCCNc1cc(C)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C15H17N5/c1-3-8-17-14-9-11(2)18-15(20-14)19-13-6-4-12(10-16)5-7-13/h4-7,9H,3,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyLFRCPEVVGOXDFR-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.22
Rot. Bonds5

About 4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile

4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile (PubChem CID 112906997) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile
PubChem CID112906997
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile
SMILESCCCNc1cc(C)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C15H17N5/c1-3-8-17-14-9-11(2)18-15(20-14)19-13-6-4-12(10-16)5-7-13/h4-7,9H,3,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyLFRCPEVVGOXDFR-UHFFFAOYSA-N
XLogP3.22
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(4-tert-butylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112929265
4-[[4-phenyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112932494
4-[[4-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112920828
2-N-(4-ethoxyphenyl)-6-methyl-4-N-propylpyrimidine-2,4-diamine
CID 112906938
4-[[4-(4-ethylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112928708
4-[[4-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-2-yl]amino]benzonitrile
CID 112916468
4-[[4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112913267
4-[[4-(3,5-dichloroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932222
4-[[4-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112919557
4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile
CID 112932340
4-[[4-(3,4-difluoroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932339
4-[[4-(dipropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112926360

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile?
The IUPAC name of 4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile (CID 112906997) is 4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile?
The canonical SMILES for 4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile is CCCNc1cc(C)nc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile?
The InChIKey is LFRCPEVVGOXDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-8-17-14-9-11(2)18-15(20-14)19-13-6-4-12(10-16)5-7-13/h4-7,9H,3,8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile?
4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile has a molecular weight of 267.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile is sourced from PubChem (CID 112906997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).