4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine

C20H22N4 — CID 112900009

IUPAC4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)N(Cc1ccccc1)c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-16(2)24(15-17-9-5-3-6-10-17)19-13-14-21-20(23-19)22-18-11-7-4-8-12-18/h3-14,16H,15H2,1-2H3,(H,21,22,23)
InChIKeyPXZKNMBOOFVCJC-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.64
Rot. Bonds6

About 4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine

4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112900009) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112900009
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)N(Cc1ccccc1)c1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-16(2)24(15-17-9-5-3-6-10-17)19-13-14-21-20(23-19)22-18-11-7-4-8-12-18/h3-14,16H,15H2,1-2H3,(H,21,22,23)
InChIKeyPXZKNMBOOFVCJC-UHFFFAOYSA-N
XLogP4.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[benzyl(propan-2-yl)amino]pyrimidin-2-yl]amino]benzonitrile
CID 112900070
4-N-benzyl-2-N-(2-chlorophenyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112900027
methyl 3-[[4-[benzyl(propan-2-yl)amino]pyrimidin-2-yl]amino]benzoate
CID 112900053
4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893856
5-N-benzyl-3-N-phenyl-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959376
4-N-benzyl-4-N-propan-2-yl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882729
4-N-benzyl-4-N-propan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893329
4-N-benzyl-2-N-[(2-chlorophenyl)methyl]-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112891807
N-benzyl-2-chloro-N-propan-2-ylpyrimidin-4-amine
CID 55065278
2-N,4-N-dibenzyl-2-N-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112891002
5-N-benzyl-3-N-(4-methylphenyl)-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112959379
4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112890866

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 112900009) is 4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)N(Cc1ccccc1)c1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is PXZKNMBOOFVCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-16(2)24(15-17-9-5-3-6-10-17)19-13-14-21-20(23-19)22-18-11-7-4-8-12-18/h3-14,16H,15H2,1-2H3,(H,21,22,23).
What are the key properties of 4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 318.42 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112900009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).