2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine

C12H11Cl2N3 — CID 62201542

IUPAC2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C12H11Cl2N3/c1-2-15-11-3-4-16-12(17-11)8-5-9(13)7-10(14)6-8/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyUVNFDYAWOWELBA-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.88
Rot. Bonds3

About 2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine

2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine (PubChem CID 62201542) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine
PubChem CID62201542
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1ccnc(-c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C12H11Cl2N3/c1-2-15-11-3-4-16-12(17-11)8-5-9(13)7-10(14)6-8/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyUVNFDYAWOWELBA-UHFFFAOYSA-N
XLogP3.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-5-fluorophenyl)-N-ethylpyrimidin-4-amine
CID 114454535
2-(3-chloro-4-methoxyphenyl)-N-ethylpyrimidin-4-amine
CID 65022574
2-(3-bromo-4-fluorophenyl)-N-ethylpyrimidin-4-amine
CID 82801474
2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine
CID 79980530
4-[4-(ethylamino)pyrimidin-2-yl]-2-fluorophenol
CID 136813753
2-[4-[(dimethylamino)methyl]phenyl]-N-ethylpyrimidin-4-amine
CID 74234866
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-ethylpyrimidin-4-amine
CID 71267221
[2-(3,5-dichlorophenyl)pyrimidin-4-yl]methanol
CID 107918136
2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 114330961
2-(2-bromophenyl)-N-ethylpyrimidin-4-amine
CID 62190265
2-(1-benzofuran-2-yl)-N-ethylpyrimidin-4-amine
CID 55133578
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 104771355

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine (CID 62201542) is 2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine is CCNc1ccnc(-c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine?
The InChIKey is UVNFDYAWOWELBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c1-2-15-11-3-4-16-12(17-11)8-5-9(13)7-10(14)6-8/h3-7H,2H2,1H3,(H,15,16,17).
What are the key properties of 2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine?
2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine has a molecular weight of 268.15 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 62201542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).