6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile

C15H16N4 — CID 115142887

IUPAC6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile
SMILESCC(C)c1ccc(CNc2cc(C#N)ncn2)cc1
InChIInChI=1S/C15H16N4/c1-11(2)13-5-3-12(4-6-13)9-17-15-7-14(8-16)18-10-19-15/h3-7,10-11H,9H2,1-2H3,(H,17,18,19)
InChIKeyZBSHGIQRZOXBAS-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.08
Rot. Bonds4

About 6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile

6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile (PubChem CID 115142887) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile
PubChem CID115142887
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile
SMILESCC(C)c1ccc(CNc2cc(C#N)ncn2)cc1
InChIInChI=1S/C15H16N4/c1-11(2)13-5-3-12(4-6-13)9-17-15-7-14(8-16)18-10-19-15/h3-7,10-11H,9H2,1-2H3,(H,17,18,19)
InChIKeyZBSHGIQRZOXBAS-UHFFFAOYSA-N
XLogP3.08
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-propan-2-ylphenyl)methylamino]methyl]pyridine-2-carbonitrile
CID 63882717
6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile
CID 115142943
6-[(2-methyl-3H-benzimidazol-5-yl)methylamino]pyrimidine-4-carbonitrile
CID 115142944
6-[2-(methylamino)propylamino]pyrimidine-4-carbonitrile
CID 130551444
6-(methylamino)pyrimidine-4-carbonitrile
CID 22498876
6-[2-(4-bromophenyl)ethylamino]pyrimidine-4-carbonitrile
CID 115143046
6-(3,3-dimethylbutylamino)pyrimidine-4-carbonitrile
CID 115143037
4-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 106972638
6-(2-fluoroethylamino)pyrimidine-4-carbonitrile
CID 130478010
6-(2,2,2-trifluoroethylamino)pyrimidine-4-carbonitrile
CID 130551187
6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile
CID 130551438
5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine
CID 80792894

Frequently Asked Questions

What is the IUPAC name of 6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile (CID 115142887) is 6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile is CC(C)c1ccc(CNc2cc(C#N)ncn2)cc1.
What is the InChIKey of 6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile?
The InChIKey is ZBSHGIQRZOXBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11(2)13-5-3-12(4-6-13)9-17-15-7-14(8-16)18-10-19-15/h3-7,10-11H,9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile?
6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 115142887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).