4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine

C21H24N4 — CID 112855406

IUPAC4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine
SMILESCC(C)CNc1cc(N(Cc2ccccc2)c2ccccc2)ncn1
InChIInChI=1S/C21H24N4/c1-17(2)14-22-20-13-21(24-16-23-20)25(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18/h3-13,16-17H,14-15H2,1-2H3,(H,22,23,24)
InChIKeyWINQSFQVNMSCIU-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.88
Rot. Bonds7

About 4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine

4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112855406) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112855406
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine
SMILESCC(C)CNc1cc(N(Cc2ccccc2)c2ccccc2)ncn1
InChIInChI=1S/C21H24N4/c1-17(2)14-22-20-13-21(24-16-23-20)25(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18/h3-13,16-17H,14-15H2,1-2H3,(H,22,23,24)
InChIKeyWINQSFQVNMSCIU-UHFFFAOYSA-N
XLogP4.88
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-6-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylpyrimidine-4,6-diamine
CID 112866961
4-N-ethyl-6-N-(3-methylbutyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112864003
4-N-benzyl-6-methyl-2-N-(2-methylpropyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112908809
4-N-ethyl-6-N-[(4-methylphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
CID 112859221
4-N-ethyl-4-N-phenyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860780
6-N-tert-butyl-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112863776
4-N-ethyl-6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112858629
6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 102080311
4-N-ethyl-6-N-(oxolan-2-ylmethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112857277
N-benzyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340213
4-N-benzyl-4-N-propan-2-yl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860753
6-N-[(2-chlorophenyl)methyl]-4-N-ethyl-4-N-phenylpyrimidine-4,6-diamine
CID 112859900

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine (CID 112855406) is 4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine is CC(C)CNc1cc(N(Cc2ccccc2)c2ccccc2)ncn1.
What is the InChIKey of 4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is WINQSFQVNMSCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-17(2)14-22-20-13-21(24-16-23-20)25(19-11-7-4-8-12-19)15-18-9-5-3-6-10-18/h3-13,16-17H,14-15H2,1-2H3,(H,22,23,24).
What are the key properties of 4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine?
4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 332.45 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-(2-methylpropyl)-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112855406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).