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

C18H18N4 — CID 932064

IUPAC2-N-benzyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H18N4/c1-14-12-17(21-16-10-6-3-7-11-16)22-18(20-14)19-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H2,19,20,21,22)
InChIKeyJBMDCMXLJQREND-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.14
Rot. Bonds5

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

2-N-benzyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 932064) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-N-benzyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID932064
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-N-benzyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccccc2)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H18N4/c1-14-12-17(21-16-10-6-3-7-11-16)22-18(20-14)19-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H2,19,20,21,22)
InChIKeyJBMDCMXLJQREND-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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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine (CID 932064) is 2-N-benzyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine is Cc1cc(Nc2ccccc2)nc(NCc2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is JBMDCMXLJQREND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-14-12-17(21-16-10-6-3-7-11-16)22-18(20-14)19-13-15-8-4-2-5-9-15/h2-12H,13H2,1H3,(H2,19,20,21,22).
What are the key properties of 2-N-benzyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine?
2-N-benzyl-6-methyl-4-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 2-N-benzyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 932064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).