4,6-dichloro-2-ethylpyrimidin-5-amine

C6H7Cl2N3 — CID 522047

IUPAC4,6-dichloro-2-ethylpyrimidin-5-amine
SMILESCCc1nc(Cl)c(N)c(Cl)n1
InChIInChI=1S/C6H7Cl2N3/c1-2-3-10-5(7)4(9)6(8)11-3/h2,9H2,1H3
InChIKeyIQHHPQSMYVIVOB-UHFFFAOYSA-N
MW192.05 g/mol
LogP1.93
Rot. Bonds1

About 4,6-dichloro-2-ethylpyrimidin-5-amine

4,6-dichloro-2-ethylpyrimidin-5-amine (PubChem CID 522047) has the molecular formula C6H7Cl2N3 and a molecular weight of 192.05 g/mol. Its IUPAC name is 4,6-dichloro-2-ethylpyrimidin-5-amine.

Molecular Properties

Compound Name4,6-dichloro-2-ethylpyrimidin-5-amine
PubChem CID522047
Molecular FormulaC6H7Cl2N3
Molecular Weight192.05 g/mol
Exact Mass191.00
IUPAC Name4,6-dichloro-2-ethylpyrimidin-5-amine
SMILESCCc1nc(Cl)c(N)c(Cl)n1
InChIInChI=1S/C6H7Cl2N3/c1-2-3-10-5(7)4(9)6(8)11-3/h2,9H2,1H3
InChIKeyIQHHPQSMYVIVOB-UHFFFAOYSA-N
XLogP1.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.05
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-Dichloro-2-methylpyrimidin-5-amine
CID 736674
2,5-Diamino-4,6-dichloropyrimidine
CID 301039
5-Amino-4,6-dichloropyrimidine
CID 79434
4,6-Dichloro-2-methyl-5-nitropyrimidine
CID 83192
6-Chloropyrimidine-2,4,5-triamine
CID 500505
4,6-Dichloro-2,5-dimethylpyrimidine
CID 237013
Pyrimidine, 4-amino-6-chloro-2,5-dimethyl-
CID 205584
4,6-Dichloro-2-(trifluoromethyl)pyrimidin-5-amine
CID 244865
4,6-Dichloro-2-ethyl-5-fluoropyrimidine
CID 55264154
6-Chloro-5-fluoro-2-methylpyrimidin-4-amine
CID 55283624
4,6-Dichloro-2-(methylsulfanyl)pyrimidin-5-amine
CID 57742486
4,6-Dichloro-2-ethyl-5-methylpyrimidine
CID 59943664

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-ethylpyrimidin-5-amine?
The IUPAC name of 4,6-dichloro-2-ethylpyrimidin-5-amine (CID 522047) is 4,6-dichloro-2-ethylpyrimidin-5-amine.
What is the SMILES notation for 4,6-dichloro-2-ethylpyrimidin-5-amine?
The canonical SMILES for 4,6-dichloro-2-ethylpyrimidin-5-amine is CCc1nc(Cl)c(N)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-ethylpyrimidin-5-amine?
The InChIKey is IQHHPQSMYVIVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N3/c1-2-3-10-5(7)4(9)6(8)11-3/h2,9H2,1H3.
What are the key properties of 4,6-dichloro-2-ethylpyrimidin-5-amine?
4,6-dichloro-2-ethylpyrimidin-5-amine has a molecular weight of 192.05 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-ethylpyrimidin-5-amine is sourced from PubChem (CID 522047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).