N-(4,5-dichloro-2-ethylphenyl)pyrimidin-2-amine

C12H11Cl2N3 — CID 145284876

IUPACN-(4,5-dichloro-2-ethylphenyl)pyrimidin-2-amine
SMILESCCc1cc(Cl)c(Cl)cc1Nc1ncccn1
InChIInChI=1S/C12H11Cl2N3/c1-2-8-6-9(13)10(14)7-11(8)17-12-15-4-3-5-16-12/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyTWSWGCWRTIMKBK-UHFFFAOYSA-N
MW268.15 g/mol
LogP4.09
Rot. Bonds3

About N-(4,5-dichloro-2-ethylphenyl)pyrimidin-2-amine

N-(4,5-dichloro-2-ethylphenyl)pyrimidin-2-amine (PubChem CID 145284876) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is N-(4,5-dichloro-2-ethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4,5-dichloro-2-ethylphenyl)pyrimidin-2-amine
PubChem CID145284876
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC NameN-(4,5-dichloro-2-ethylphenyl)pyrimidin-2-amine
SMILESCCc1cc(Cl)c(Cl)cc1Nc1ncccn1
InChIInChI=1S/C12H11Cl2N3/c1-2-8-6-9(13)10(14)7-11(8)17-12-15-4-3-5-16-12/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyTWSWGCWRTIMKBK-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dichloro-2-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 82740922
4-chloro-3-N-pyrimidin-2-ylbenzene-1,3-diamine
CID 61013625
2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594
5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine
CID 81288979
N-(2-chloro-4-ethylphenyl)-1,3,5-triazin-2-amine
CID 163211624
N-(4-bromo-2-ethylphenyl)-2-chloropyridin-4-amine
CID 102824327
N-[2-(aminomethyl)phenyl]pyrimidin-2-amine
CID 63760524
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315577
2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267339
5-(aminomethyl)-2,4-dichloro-N-pyrimidin-2-ylbenzenesulfonamide
CID 106071940
4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline
CID 70952158
6-chloro-4-N-ethyl-2-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 80759661

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-2-ethylphenyl)pyrimidin-2-amine?
The IUPAC name of N-(4,5-dichloro-2-ethylphenyl)pyrimidin-2-amine (CID 145284876) is N-(4,5-dichloro-2-ethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(4,5-dichloro-2-ethylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-(4,5-dichloro-2-ethylphenyl)pyrimidin-2-amine is CCc1cc(Cl)c(Cl)cc1Nc1ncccn1.
What is the InChIKey of N-(4,5-dichloro-2-ethylphenyl)pyrimidin-2-amine?
The InChIKey is TWSWGCWRTIMKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c1-2-8-6-9(13)10(14)7-11(8)17-12-15-4-3-5-16-12/h3-7H,2H2,1H3,(H,15,16,17).
What are the key properties of N-(4,5-dichloro-2-ethylphenyl)pyrimidin-2-amine?
N-(4,5-dichloro-2-ethylphenyl)pyrimidin-2-amine has a molecular weight of 268.15 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-2-ethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 145284876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).