4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine

C20H22N4 — CID 112890671

IUPAC4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nccc(N(C)Cc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C20H22N4/c1-16(18-11-7-4-8-12-18)22-20-21-14-13-19(23-20)24(2)15-17-9-5-3-6-10-17/h3-14,16H,15H2,1-2H3,(H,21,22,23)
InChIKeyPLBPMVZWJQJSII-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.29
Rot. Bonds6

About 4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine

4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 112890671) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
PubChem CID112890671
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
SMILESCC(Nc1nccc(N(C)Cc2ccccc2)n1)c1ccccc1
InChIInChI=1S/C20H22N4/c1-16(18-11-7-4-8-12-18)22-20-21-14-13-19(23-20)24(2)15-17-9-5-3-6-10-17/h3-14,16H,15H2,1-2H3,(H,21,22,23)
InChIKeyPLBPMVZWJQJSII-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112890689
4-N-benzyl-4-N-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112890866
4-N-benzyl-4-N-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890797
4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
CID 112884942
4-chloro-N-(1-phenylethyl)pyrimidin-2-amine
CID 18375668
4-N-benzyl-4-N-methyl-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112890932
N-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
CID 11210607
4-(N,2-diamino-4-methylanilino)-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 142035617
1-[4-(dimethylamino)phenyl]-3-phenyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]urea
CID 69208104
4-bromo-N-ethyl-N-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
CID 58702374
2-N-(1,3-benzodioxol-5-yl)-4-N-benzyl-4-N-methylpyrimidine-2,4-diamine
CID 112890926
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine (CID 112890671) is 4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine is CC(Nc1nccc(N(C)Cc2ccccc2)n1)c1ccccc1.
What is the InChIKey of 4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is PLBPMVZWJQJSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-16(18-11-7-4-8-12-18)22-20-21-14-13-19(23-20)24(2)15-17-9-5-3-6-10-17/h3-14,16H,15H2,1-2H3,(H,21,22,23).
What are the key properties of 4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine?
4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 318.42 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-4-N-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112890671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).