2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide

C15H21ClN4O — CID 80980363

IUPAC2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide
SMILESCc1c(Cl)nc(C2CC2)nc1N(CC(N)=O)C1CCCC1
InChIInChI=1S/C15H21ClN4O/c1-9-13(16)18-14(10-6-7-10)19-15(9)20(8-12(17)21)11-4-2-3-5-11/h10-11H,2-8H2,1H3,(H2,17,21)
InChIKeyJQWHMGJEIWYFMN-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.55
Rot. Bonds5

About 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide

2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide (PubChem CID 80980363) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide
PubChem CID80980363
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide
SMILESCc1c(Cl)nc(C2CC2)nc1N(CC(N)=O)C1CCCC1
InChIInChI=1S/C15H21ClN4O/c1-9-13(16)18-14(10-6-7-10)19-15(9)20(8-12(17)21)11-4-2-3-5-11/h10-11H,2-8H2,1H3,(H2,17,21)
InChIKeyJQWHMGJEIWYFMN-UHFFFAOYSA-N
XLogP2.55
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide
CID 80986101
2-[butyl-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetamide
CID 80971414
2-[cyclopentyl-(3,6-dichloro-1,2,4-triazin-5-yl)amino]acetamide
CID 81035717
6-chloro-N,2-dicyclopropyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
CID 80970762
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80971413
2-[cyclopentyl-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80806649
6-chloro-N,2-dicyclopropyl-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80979010
6-chloro-N-cyclopentyl-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 55229296
1-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80972496
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917456
2-[(6-chloro-5-propylpyrimidin-4-yl)-cyclopentylamino]acetamide
CID 63730164
2-[cyclopentyl-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80994741

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide?
The IUPAC name of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide (CID 80980363) is 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide is Cc1c(Cl)nc(C2CC2)nc1N(CC(N)=O)C1CCCC1.
What is the InChIKey of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide?
The InChIKey is JQWHMGJEIWYFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-9-13(16)18-14(10-6-7-10)19-15(9)20(8-12(17)21)11-4-2-3-5-11/h10-11H,2-8H2,1H3,(H2,17,21).
What are the key properties of 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide?
2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide has a molecular weight of 308.81 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-cyclopentylamino]acetamide is sourced from PubChem (CID 80980363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).