6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine

C13H14ClN3O — CID 55229292

IUPAC6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(C)nc(Cl)c2C)c1
InChIInChI=1S/C13H14ClN3O/c1-8-12(14)15-9(2)16-13(8)17-10-5-4-6-11(7-10)18-3/h4-7H,1-3H3,(H,15,16,17)
InChIKeyFRODXZZXSCSQBH-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.50
Rot. Bonds3

About 6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine

6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 55229292) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
PubChem CID55229292
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCOc1cccc(Nc2nc(C)nc(Cl)c2C)c1
InChIInChI=1S/C13H14ClN3O/c1-8-12(14)15-9(2)16-13(8)17-10-5-4-6-11(7-10)18-3/h4-7H,1-3H3,(H,15,16,17)
InChIKeyFRODXZZXSCSQBH-UHFFFAOYSA-N
XLogP3.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971215
6-chloro-2,5-dimethyl-N-(3-propan-2-ylphenyl)pyrimidin-4-amine
CID 63734213
1-N-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 113297856
N-(3-methoxyphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 4225944
4-N-(3-chloro-2-methylphenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878059
6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 11694491
5-chloro-N-(3-methoxyphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 103076126
1-N,2-N-bis(3-methoxyphenyl)benzene-1,2-diamine
CID 19351985
4-N-(3-fluorophenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878355
4-N-(3-methoxyphenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112877709
6-N-(4-bromophenyl)-4-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878248
6-chloro-N-(3-methoxyphenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 58345945

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine (CID 55229292) is 6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine is COc1cccc(Nc2nc(C)nc(Cl)c2C)c1.
What is the InChIKey of 6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is FRODXZZXSCSQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-12(14)15-9(2)16-13(8)17-10-5-4-6-11(7-10)18-3/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methoxyphenyl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 55229292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).