6-chloro-N-(4-ethyl-2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C17H28ClN3 — CID 90923616

IUPAC6-chloro-N-(4-ethyl-2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCC1CC(Nc2nc(C(C)C)nc(Cl)c2C)C(C)C1C
InChIInChI=1S/C17H28ClN3/c1-7-13-8-14(11(5)10(13)4)19-17-12(6)15(18)20-16(21-17)9(2)3/h9-11,13-14H,7-8H2,1-6H3,(H,19,20,21)
InChIKeyWFGMYRDEVJLHLJ-UHFFFAOYSA-N
MW309.88 g/mol
LogP5.04
Rot. Bonds4

About 6-chloro-N-(4-ethyl-2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(4-ethyl-2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 90923616) has the molecular formula C17H28ClN3 and a molecular weight of 309.88 g/mol. Its IUPAC name is 6-chloro-N-(4-ethyl-2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-ethyl-2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID90923616
Molecular FormulaC17H28ClN3
Molecular Weight309.88 g/mol
Exact Mass309.20
IUPAC Name6-chloro-N-(4-ethyl-2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCC1CC(Nc2nc(C(C)C)nc(Cl)c2C)C(C)C1C
InChIInChI=1S/C17H28ClN3/c1-7-13-8-14(11(5)10(13)4)19-17-12(6)15(18)20-16(21-17)9(2)3/h9-11,13-14H,7-8H2,1-6H3,(H,19,20,21)
InChIKeyWFGMYRDEVJLHLJ-UHFFFAOYSA-N
XLogP5.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.88
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-ethyl-2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-ethyl-2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 90923616) is 6-chloro-N-(4-ethyl-2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-ethyl-2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-ethyl-2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is CCC1CC(Nc2nc(C(C)C)nc(Cl)c2C)C(C)C1C.
What is the InChIKey of 6-chloro-N-(4-ethyl-2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is WFGMYRDEVJLHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3/c1-7-13-8-14(11(5)10(13)4)19-17-12(6)15(18)20-16(21-17)9(2)3/h9-11,13-14H,7-8H2,1-6H3,(H,19,20,21).
What are the key properties of 6-chloro-N-(4-ethyl-2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(4-ethyl-2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 309.88 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-ethyl-2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 90923616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).