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

C18H18N4O — CID 112858817

IUPAC6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccccc1Nc1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C18H18N4O/c1-23-16-10-6-5-9-15(16)22-18-11-17(20-13-21-18)19-12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H2,19,20,21,22)
InChIKeyXAYNKYLUGJPBBT-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.84
Rot. Bonds6

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

6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 112858817) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
PubChem CID112858817
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccccc1Nc1cc(NCc2ccccc2)ncn1
InChIInChI=1S/C18H18N4O/c1-23-16-10-6-5-9-15(16)22-18-11-17(20-13-21-18)19-12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H2,19,20,21,22)
InChIKeyXAYNKYLUGJPBBT-UHFFFAOYSA-N
XLogP3.84
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112860011
6-N-benzyl-4-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112858867
4-N-(2-ethoxyphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112866112
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188
4-N-(2-methoxyphenyl)-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112864024
6-N-benzyl-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112858799
4-N-(2-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860302
4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860141
4-N-(2-ethoxyphenyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860806
4-N-(2,4-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860142
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112860016
2-[[6-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113195006

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine (CID 112858817) is 6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine is COc1ccccc1Nc1cc(NCc2ccccc2)ncn1.
What is the InChIKey of 6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is XAYNKYLUGJPBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-23-16-10-6-5-9-15(16)22-18-11-17(20-13-21-18)19-12-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H2,19,20,21,22).
What are the key properties of 6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine?
6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 306.37 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112858817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).