5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine

C13H14ClN3O — CID 90902051

IUPAC5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
SMILESCOc1ccc(CNc2ncc(Cl)c(C)n2)cc1
InChIInChI=1S/C13H14ClN3O/c1-9-12(14)8-16-13(17-9)15-7-10-3-5-11(18-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,15,16,17)
InChIKeyLDQUEGOXIONCGO-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.06
Rot. Bonds4

About 5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine

5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine (PubChem CID 90902051) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
PubChem CID90902051
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
SMILESCOc1ccc(CNc2ncc(Cl)c(C)n2)cc1
InChIInChI=1S/C13H14ClN3O/c1-9-12(14)8-16-13(17-9)15-7-10-3-5-11(18-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,15,16,17)
InChIKeyLDQUEGOXIONCGO-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-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 80932410
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 115620538
3,5-dichloro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 29285859
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;(4-methoxyphenyl)methanamine
CID 138683371
5-(4-methoxyphenyl)-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 171989060
2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 20959733
2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248
N-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CID 53217154
N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959741
3-[(4-methoxyphenyl)methylamino]-1H-pyridazine-6-thione
CID 106523217
N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenyl)pyrimidin-2-amine
CID 46172980
N-[(4-methoxyphenyl)methyl]-5-(2-methylsulfanylethoxy)pyrimidin-2-amine
CID 58339649

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine (CID 90902051) is 5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine is COc1ccc(CNc2ncc(Cl)c(C)n2)cc1.
What is the InChIKey of 5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine?
The InChIKey is LDQUEGOXIONCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-12(14)8-16-13(17-9)15-7-10-3-5-11(18-2)6-4-10/h3-6,8H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine?
5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-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-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 90902051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).