6-chloro-5-ethyl-N,2-dimethylpyrimidin-4-amine

C8H12ClN3 — CID 164917358

IUPAC6-chloro-5-ethyl-N,2-dimethylpyrimidin-4-amine
SMILESCCc1c(Cl)nc(C)nc1NC
InChIInChI=1S/C8H12ClN3/c1-4-6-7(9)11-5(2)12-8(6)10-3/h4H2,1-3H3,(H,10,11,12)
InChIKeyHNBRVHMPEGFMLE-UHFFFAOYSA-N
MW185.66 g/mol
LogP2.04
Rot. Bonds2

About 6-chloro-5-ethyl-N,2-dimethylpyrimidin-4-amine

6-chloro-5-ethyl-N,2-dimethylpyrimidin-4-amine (PubChem CID 164917358) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N,2-dimethylpyrimidin-4-amine
PubChem CID164917358
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name6-chloro-5-ethyl-N,2-dimethylpyrimidin-4-amine
SMILESCCc1c(Cl)nc(C)nc1NC
InChIInChI=1S/C8H12ClN3/c1-4-6-7(9)11-5(2)12-8(6)10-3/h4H2,1-3H3,(H,10,11,12)
InChIKeyHNBRVHMPEGFMLE-UHFFFAOYSA-N
XLogP2.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-2-Cyclopropyl-5-Methyl-N-Propylpyrimidin-4-Amine
CID 80970780
6-Chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 77230235
4-chloro-5-ethyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 15567738
6-chloro-2-cyclopropyl-N-(2-fluoroprop-2-enyl)-5-methylpyrimidin-4-amine
CID 122191265
Pyrimidine, 4-amino-6-chloro-2,5-dimethyl-
CID 205584
6-Chloro-2-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-imine
CID 913023
Pyrimidine, 4-amino-6-chloro-2-methyl-5-propyl-
CID 3025150
6-chloro-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80970089
6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 80971037
Pyrimidine, 4-amino-5-butyl-6-chloro-2-methyl-
CID 3025147
Pyrimidine, 4-amino-6-chloro-5-hexyl-2-methyl-
CID 3025148
Pyrimidine, 4-amino-6-chloro-2-methyl-5-pentyl-
CID 3025149

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N,2-dimethylpyrimidin-4-amine (CID 164917358) is 6-chloro-5-ethyl-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N,2-dimethylpyrimidin-4-amine is CCc1c(Cl)nc(C)nc1NC.
What is the InChIKey of 6-chloro-5-ethyl-N,2-dimethylpyrimidin-4-amine?
The InChIKey is HNBRVHMPEGFMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-4-6-7(9)11-5(2)12-8(6)10-3/h4H2,1-3H3,(H,10,11,12).
What are the key properties of 6-chloro-5-ethyl-N,2-dimethylpyrimidin-4-amine?
6-chloro-5-ethyl-N,2-dimethylpyrimidin-4-amine has a molecular weight of 185.66 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 164917358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).