6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine

C18H18N4O — CID 112860098

IUPAC6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
SMILESCOc1ccccc1CNc1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C18H18N4O/c1-23-16-10-6-5-7-14(16)12-19-17-11-18(21-13-20-17)22-15-8-3-2-4-9-15/h2-11,13H,12H2,1H3,(H2,19,20,21,22)
InChIKeyPVFGICCWCQIQIU-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.84
Rot. Bonds6

About 6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine

6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112860098) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112860098
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine
SMILESCOc1ccccc1CNc1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C18H18N4O/c1-23-16-10-6-5-7-14(16)12-19-17-11-18(21-13-20-17)22-15-8-3-2-4-9-15/h2-11,13H,12H2,1H3,(H2,19,20,21,22)
InChIKeyPVFGICCWCQIQIU-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

4-N-(2,5-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860141
ethyl 4-[[6-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112860170
4-N-(2,4-dimethoxyphenyl)-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860142
6-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855280
2-[[6-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113195006
6-N-[(2-methoxyphenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112860115
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860060
4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055
4-N-(3,5-dimethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861517
4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861528
N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66327152
4-N-benzyl-4-N-ethyl-6-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860053

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine (CID 112860098) is 6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine is COc1ccccc1CNc1cc(Nc2ccccc2)ncn1.
What is the InChIKey of 6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is PVFGICCWCQIQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-23-16-10-6-5-7-14(16)12-19-17-11-18(21-13-20-17)22-15-8-3-2-4-9-15/h2-11,13H,12H2,1H3,(H2,19,20,21,22).
What are the key properties of 6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine?
6-N-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-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-[(2-methoxyphenyl)methyl]-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112860098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).