2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

C16H22N4O — CID 112883170

IUPAC2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1nccc(NCC(C)C)n1
InChIInChI=1S/C16H22N4O/c1-12(2)10-18-15-8-9-17-16(20-15)19-11-13-6-4-5-7-14(13)21-3/h4-9,12H,10-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyYEXHQAOPRGVNRA-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.17
Rot. Bonds7

About 2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine

2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 112883170) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID112883170
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1nccc(NCC(C)C)n1
InChIInChI=1S/C16H22N4O/c1-12(2)10-18-15-8-9-17-16(20-15)19-11-13-6-4-5-7-14(13)21-3/h4-9,12H,10-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyYEXHQAOPRGVNRA-UHFFFAOYSA-N
XLogP3.17
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112889572
4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638
2-N-[(2-methoxyphenyl)methyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112892258
2-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892144
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892289
6-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855280
5-N-[(2-methoxyphenyl)methyl]-3-N-(2-methylpropyl)-1,2,4-triazine-3,5-diamine
CID 112940487
2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892117
2-N-[(4-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883171
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112892157
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892129
4-N-(4-ethylphenyl)-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892306

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 112883170) is 2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is COc1ccccc1CNc1nccc(NCC(C)C)n1.
What is the InChIKey of 2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is YEXHQAOPRGVNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)10-18-15-8-9-17-16(20-15)19-11-13-6-4-5-7-14(13)21-3/h4-9,12H,10-11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine?
2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 286.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methoxyphenyl)methyl]-4-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112883170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).