4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine

C18H18N4 — CID 5276763

IUPAC4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H18N4/c1-14-12-17(19-13-15-8-4-2-5-9-15)22-18(20-14)21-16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H2,19,20,21,22)
InChIKeyNZRXKVOATWTKAR-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.14
Rot. Bonds5

About 4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine

4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 5276763) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
PubChem CID5276763
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H18N4/c1-14-12-17(19-13-15-8-4-2-5-9-15)22-18(20-14)21-16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H2,19,20,21,22)
InChIKeyNZRXKVOATWTKAR-UHFFFAOYSA-N
XLogP4.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-N-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919456
N-[4-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112915576
methyl 3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112915578
ethyl 4-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112915600
6-methyl-2-N-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919143
2-N-benzyl-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112915689
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
2-N-(3,5-dimethylphenyl)-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916401
2-N-(4-chlorophenyl)-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919484
4-N-benzyl-2-N-butan-2-yl-6-methylpyrimidine-2,4-diamine
CID 112909056
4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine (CID 5276763) is 4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine is Cc1cc(NCc2ccccc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is NZRXKVOATWTKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-14-12-17(19-13-15-8-4-2-5-9-15)22-18(20-14)21-16-10-6-3-7-11-16/h2-12H,13H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine?
4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 290.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 5276763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).