6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine

C13H14ClN3O — CID 79711613

IUPAC6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1-c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H14ClN3O/c1-3-9-12(16-7-17-13(9)15)8-4-5-10(14)11(6-8)18-2/h4-7H,3H2,1-2H3,(H2,15,16,17)
InChIKeyKBBZACLJLMSIHQ-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.95
Rot. Bonds3

About 6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine

6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine (PubChem CID 79711613) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine
PubChem CID79711613
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1-c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H14ClN3O/c1-3-9-12(16-7-17-13(9)15)8-4-5-10(14)11(6-8)18-2/h4-7H,3H2,1-2H3,(H2,15,16,17)
InChIKeyKBBZACLJLMSIHQ-UHFFFAOYSA-N
XLogP2.95
TPSA61.03 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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Aminomethyl)-6-(2,4-dichlorophenyl)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 10287141
4-(2,4-Dichloro-5-Methoxyphenyl)-6-Methylpyrimidin-2-Amine
CID 52940058
4-(4-Chloranyl-3-methoxy-phenyl)pyridin-2-amine
CID 104877339
4-Chloro-5-(4-methoxybenzyl)-6-methylpyrimidin-2-amine
CID 919161
4-Chloro-6-(2-chloro-5-methoxyphenyl)pyrimidin-2-amine
CID 46914444
4-Chloro-6-(2,4-dichloro-5-methoxyphenyl)-2-pyrimidinamine
CID 46914445
5-(4-Chlorophenyl)-2-(3-methylphenoxy)pyrimidine
CID 1472454
5-(4-Chlorophenyl)-6-[3-(4-methoxyphenyl)propyl]pyrimidine-2,4-diamine
CID 44531181
5-[3-(2-Chlorophenoxy)propyl]-6-ethylpyrimidine-2,4-diamine;hydrochloride
CID 44531876
5-[3-(2-Chlorophenoxy)propyl]-6-methylpyrimidine-2,4-diamine
CID 44531878
5-(3-Chloro-4-methoxyphenyl)-4-phenylpyrimidin-2-amine
CID 134142882
4-N-butyl-6-[(2-chloro-3-methoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 145980899

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine (CID 79711613) is 6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine is CCc1c(N)ncnc1-c1ccc(Cl)c(OC)c1.
What is the InChIKey of 6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine?
The InChIKey is KBBZACLJLMSIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-3-9-12(16-7-17-13(9)15)8-4-5-10(14)11(6-8)18-2/h4-7H,3H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine?
6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-methoxyphenyl)-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 79711613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).