6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine

C20H22N4 — CID 112858799

IUPAC6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCC(C)c1ccccc1Nc1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C20H22N4/c1-15(2)17-10-6-7-11-18(17)24-20-12-19(22-14-23-20)21-13-16-8-4-3-5-9-16/h3-12,14-15H,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyQTCIMVNJVMVRPK-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.96
Rot. Bonds6

About 6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine

6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 112858799) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
PubChem CID112858799
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
SMILESCC(C)c1ccccc1Nc1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C20H22N4/c1-15(2)17-10-6-7-11-18(17)24-20-12-19(22-14-23-20)21-13-16-8-4-3-5-9-16/h3-12,14-15H,13H2,1-2H3,(H2,21,22,23,24)
InChIKeyQTCIMVNJVMVRPK-UHFFFAOYSA-N
XLogP4.96
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(2-methoxyphenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112860115
6-N-pentyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112864112
6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112858817
4-N-butan-2-yl-6-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112855546
6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858790
6-N-benzyl-4-N-(2,3-dichlorophenyl)pyrimidine-4,6-diamine
CID 112858865
2-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113195071
6-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112863659
2-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112865526
6-N-benzyl-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858793
4-N-benzylpyrimidine-4,6-diamine
CID 3031503
methyl 2-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]benzoate
CID 112865514

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine (CID 112858799) is 6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine is CC(C)c1ccccc1Nc1cc(NCc2ccccc2)ncn1.
What is the InChIKey of 6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is QTCIMVNJVMVRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15(2)17-10-6-7-11-18(17)24-20-12-19(22-14-23-20)21-13-16-8-4-3-5-9-16/h3-12,14-15H,13H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine?
6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 318.42 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112858799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).