2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine

C21H24N4 — CID 112932661

IUPAC2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1ccc(CNc2nc(NC(C)C)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H24N4/c1-15(2)23-20-13-19(18-7-5-4-6-8-18)24-21(25-20)22-14-17-11-9-16(3)10-12-17/h4-13,15H,14H2,1-3H3,(H2,22,23,24,25)
InChIKeyNSVBONLWLOTBSI-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.88
Rot. Bonds6

About 2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine

2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 112932661) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID112932661
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1ccc(CNc2nc(NC(C)C)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H24N4/c1-15(2)23-20-13-19(18-7-5-4-6-8-18)24-21(25-20)22-14-17-11-9-16(3)10-12-17/h4-13,15H,14H2,1-3H3,(H2,22,23,24,25)
InChIKeyNSVBONLWLOTBSI-UHFFFAOYSA-N
XLogP4.88
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932810
2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112936942
4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932857
2-N-(2-methylphenyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932714
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methylbutyl)-6-phenylpyrimidine-2,4-diamine
CID 112937070
2-N-(oxolan-2-ylmethyl)-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932649
N-benzyl-4-methyl-6-phenylpyrimidin-2-amine
CID 13126867
4-N-(2-methoxyethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932787
2-N-[2-(1H-indol-3-yl)ethyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932688
2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112934005
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932798
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936254

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 112932661) is 2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine is Cc1ccc(CNc2nc(NC(C)C)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is NSVBONLWLOTBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-15(2)23-20-13-19(18-7-5-4-6-8-18)24-21(25-20)22-14-17-11-9-16(3)10-12-17/h4-13,15H,14H2,1-3H3,(H2,22,23,24,25).
What are the key properties of 2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 332.45 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methylphenyl)methyl]-6-phenyl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).