2-N-benzyl-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

C19H20N4O — CID 807557

IUPAC2-N-benzyl-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(C)nc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C19H20N4O/c1-14-12-18(22-16-8-10-17(24-2)11-9-16)23-19(21-14)20-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,20,21,22,23)
InChIKeySSTCHTLFFVJUGP-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.15
Rot. Bonds6

About 2-N-benzyl-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

2-N-benzyl-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 807557) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-N-benzyl-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID807557
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-N-benzyl-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(C)nc(NCc3ccccc3)n2)cc1
InChIInChI=1S/C19H20N4O/c1-14-12-18(22-16-8-10-17(24-2)11-9-16)23-19(21-14)20-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,20,21,22,23)
InChIKeySSTCHTLFFVJUGP-UHFFFAOYSA-N
XLogP4.15
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 807557) is 2-N-benzyl-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is COc1ccc(Nc2cc(C)nc(NCc3ccccc3)n2)cc1.
What is the InChIKey of 2-N-benzyl-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is SSTCHTLFFVJUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-12-18(22-16-8-10-17(24-2)11-9-16)23-19(21-14)20-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-N-benzyl-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 320.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 807557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).