6-chloro-N-[(1S,3R,4S)-3-ethyl-4-methylcyclopentyl]-2,5-dimethylpyrimidin-4-amine

C14H22ClN3 — CID 130278751

IUPAC6-chloro-N-[(1S,3R,4S)-3-ethyl-4-methylcyclopentyl]-2,5-dimethylpyrimidin-4-amine
SMILESCC[C@@H]1C[C@@H](Nc2nc(C)nc(Cl)c2C)C[C@@H]1C
InChIInChI=1S/C14H22ClN3/c1-5-11-7-12(6-8(11)2)18-14-9(3)13(15)16-10(4)17-14/h8,11-12H,5-7H2,1-4H3,(H,16,17,18)/t8-,11+,12-/m0/s1
InChIKeyDYOFYZCSYZUBEK-AXTRIDKLSA-N
MW267.80 g/mol
LogP3.98
Rot. Bonds3

About 6-chloro-N-[(1S,3R,4S)-3-ethyl-4-methylcyclopentyl]-2,5-dimethylpyrimidin-4-amine

6-chloro-N-[(1S,3R,4S)-3-ethyl-4-methylcyclopentyl]-2,5-dimethylpyrimidin-4-amine (PubChem CID 130278751) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 6-chloro-N-[(1S,3R,4S)-3-ethyl-4-methylcyclopentyl]-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(1S,3R,4S)-3-ethyl-4-methylcyclopentyl]-2,5-dimethylpyrimidin-4-amine
PubChem CID130278751
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name6-chloro-N-[(1S,3R,4S)-3-ethyl-4-methylcyclopentyl]-2,5-dimethylpyrimidin-4-amine
SMILESCC[C@@H]1C[C@@H](Nc2nc(C)nc(Cl)c2C)C[C@@H]1C
InChIInChI=1S/C14H22ClN3/c1-5-11-7-12(6-8(11)2)18-14-9(3)13(15)16-10(4)17-14/h8,11-12H,5-7H2,1-4H3,(H,16,17,18)/t8-,11+,12-/m0/s1
InChIKeyDYOFYZCSYZUBEK-AXTRIDKLSA-N
XLogP3.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-N-[(1S,3R,4S)-3-ethyl-4-methylcyclopentyl]-2,5-dimethylpyrimidin-4-amine with MolForge

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Related Compounds

6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80970789
6-chloro-2-cyclopropyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 80971037
6-chloro-N-(2,3-dimethylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767924
6-chloro-N-(3-ethyl-2-methylcyclopentyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767925
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-methylpyrimidin-4-amine
CID 56684864
6-Chloro-N-cyclopropyl-2-isopropyl-5-methylpyrimidin-4-amine
CID 10149141
6-chloro-N-cyclopropyl-2-(cyclopropylmethyl)-5-methylpyrimidin-4-amine
CID 10149179
6-chloro-N-cyclopropyl-5-methyl-2-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine
CID 10214559
6-Chloro-2-cyclobutyl-n-cyclopropyl-5-methyl-4-pyrimidinamine
CID 10236162
6-Chloro-2-cyclopentyl-n-cyclopropyl-5-methyl-4-pyrimidinamine
CID 10286003
6-chloro-N-cyclopropyl-5-methyl-2-[(1R,2R)-2-methylcyclopropyl]pyrimidin-4-amine
CID 10308031
6-chloro-N-heptan-4-yl-2,5-dimethylpyrimidin-4-amine
CID 60087295

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1S,3R,4S)-3-ethyl-4-methylcyclopentyl]-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(1S,3R,4S)-3-ethyl-4-methylcyclopentyl]-2,5-dimethylpyrimidin-4-amine (CID 130278751) is 6-chloro-N-[(1S,3R,4S)-3-ethyl-4-methylcyclopentyl]-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(1S,3R,4S)-3-ethyl-4-methylcyclopentyl]-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(1S,3R,4S)-3-ethyl-4-methylcyclopentyl]-2,5-dimethylpyrimidin-4-amine is CC[C@@H]1C[C@@H](Nc2nc(C)nc(Cl)c2C)C[C@@H]1C.
What is the InChIKey of 6-chloro-N-[(1S,3R,4S)-3-ethyl-4-methylcyclopentyl]-2,5-dimethylpyrimidin-4-amine?
The InChIKey is DYOFYZCSYZUBEK-AXTRIDKLSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-5-11-7-12(6-8(11)2)18-14-9(3)13(15)16-10(4)17-14/h8,11-12H,5-7H2,1-4H3,(H,16,17,18)/t8-,11+,12-/m0/s1.
What are the key properties of 6-chloro-N-[(1S,3R,4S)-3-ethyl-4-methylcyclopentyl]-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-[(1S,3R,4S)-3-ethyl-4-methylcyclopentyl]-2,5-dimethylpyrimidin-4-amine has a molecular weight of 267.80 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1S,3R,4S)-3-ethyl-4-methylcyclopentyl]-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 130278751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).