2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine

C13H14ClN3O — CID 65022574

IUPAC2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(-c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C13H14ClN3O/c1-3-15-12-6-7-16-13(17-12)9-4-5-11(18-2)10(14)8-9/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyBZPPOYBRIDIZNS-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.24
Rot. Bonds4

About 2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine

2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine (PubChem CID 65022574) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine
PubChem CID65022574
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(-c2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C13H14ClN3O/c1-3-15-12-6-7-16-13(17-12)9-4-5-11(18-2)10(14)8-9/h4-8H,3H2,1-2H3,(H,15,16,17)
InChIKeyBZPPOYBRIDIZNS-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine (CID 65022574) is 2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine is CCNc1ccnc(-c2ccc(OC)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine?
The InChIKey is BZPPOYBRIDIZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-3-15-12-6-7-16-13(17-12)9-4-5-11(18-2)10(14)8-9/h4-8H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine?
2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 65022574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).