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

C13H14ClN3O — CID 91609637

IUPAC2-chloro-N-[(5-methoxy-2-methylphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(C)c(CNc2ccnc(Cl)n2)c1
InChIInChI=1S/C13H14ClN3O/c1-9-3-4-11(18-2)7-10(9)8-16-12-5-6-15-13(14)17-12/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyZVPUADDEYUPZKX-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.06
Rot. Bonds4

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

2-chloro-N-[(5-methoxy-2-methylphenyl)methyl]pyrimidin-4-amine (PubChem CID 91609637) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-chloro-N-[(5-methoxy-2-methylphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(5-methoxy-2-methylphenyl)methyl]pyrimidin-4-amine
PubChem CID91609637
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-chloro-N-[(5-methoxy-2-methylphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccc(C)c(CNc2ccnc(Cl)n2)c1
InChIInChI=1S/C13H14ClN3O/c1-9-3-4-11(18-2)7-10(9)8-16-12-5-6-15-13(14)17-12/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyZVPUADDEYUPZKX-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

2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine
CID 11844762
2-chloro-N-(3-methoxypropyl)pyrimidin-4-amine
CID 62343653
2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline
CID 55192756
2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248
2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol
CID 65484698
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-amine
CID 22308410
4-N-[(2-chlorophenyl)methyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112891650
2-N-(2,4-dimethylphenyl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892431
6-methoxy-N-[(2-methylphenyl)methyl]isoquinolin-1-amine
CID 106537699
N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide
CID 116798448
2-N-[(2-chlorophenyl)methyl]-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112891782
2-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine
CID 62342670

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-methoxy-2-methylphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[(5-methoxy-2-methylphenyl)methyl]pyrimidin-4-amine (CID 91609637) is 2-chloro-N-[(5-methoxy-2-methylphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[(5-methoxy-2-methylphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[(5-methoxy-2-methylphenyl)methyl]pyrimidin-4-amine is COc1ccc(C)c(CNc2ccnc(Cl)n2)c1.
What is the InChIKey of 2-chloro-N-[(5-methoxy-2-methylphenyl)methyl]pyrimidin-4-amine?
The InChIKey is ZVPUADDEYUPZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-3-4-11(18-2)7-10(9)8-16-12-5-6-15-13(14)17-12/h3-7H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-N-[(5-methoxy-2-methylphenyl)methyl]pyrimidin-4-amine?
2-chloro-N-[(5-methoxy-2-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 2-chloro-N-[(5-methoxy-2-methylphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 91609637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).