5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine

C13H14ClN3O — CID 80758182

IUPAC5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCc2cccc(C)c2)n1
InChIInChI=1S/C13H14ClN3O/c1-9-4-3-5-10(6-9)7-15-12-11(14)8-16-13(17-12)18-2/h3-6,8H,7H2,1-2H3,(H,15,16,17)
InChIKeyPONRYHYYZLNMKO-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.06
Rot. Bonds4

About 5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine

5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 80758182) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID80758182
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ncc(Cl)c(NCc2cccc(C)c2)n1
InChIInChI=1S/C13H14ClN3O/c1-9-4-3-5-10(6-9)7-15-12-11(14)8-16-13(17-12)18-2/h3-6,8H,7H2,1-2H3,(H,15,16,17)
InChIKeyPONRYHYYZLNMKO-UHFFFAOYSA-N
XLogP3.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790786
5-chloro-2-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80711807
1-[3-[[(5-chloro-2-methoxypyrimidin-4-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 99632936
3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756388
5-chloro-2-methoxy-N-[(4-methylsulfinylphenyl)methyl]pyrimidin-4-amine
CID 84589328
3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756384
5-chloro-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 114956672
5-chloro-2-methoxy-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80759163
5-chloro-2-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 80759146
2,5-dichloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 79631877
5-chloro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 80746872
5-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-(1H-pyrazol-4-yl)pyrimidine-2,4-diamine
CID 141388735

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine (CID 80758182) is 5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine is COc1ncc(Cl)c(NCc2cccc(C)c2)n1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is PONRYHYYZLNMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-4-3-5-10(6-9)7-15-12-11(14)8-16-13(17-12)18-2/h3-6,8H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine?
5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80758182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).