2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide

C13H20N4O — CID 64678565

IUPAC2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
SMILESCc1nccc(CNC(=O)CC2(N)CCCC2)n1
InChIInChI=1S/C13H20N4O/c1-10-15-7-4-11(17-10)9-16-12(18)8-13(14)5-2-3-6-13/h4,7H,2-3,5-6,8-9,14H2,1H3,(H,16,18)
InChIKeyHRVPBLORXHXYLP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.06
Rot. Bonds4

About 2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide

2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide (PubChem CID 64678565) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
PubChem CID64678565
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
SMILESCc1nccc(CNC(=O)CC2(N)CCCC2)n1
InChIInChI=1S/C13H20N4O/c1-10-15-7-4-11(17-10)9-16-12(18)8-13(14)5-2-3-6-13/h4,7H,2-3,5-6,8-9,14H2,1H3,(H,16,18)
InChIKeyHRVPBLORXHXYLP-UHFFFAOYSA-N
XLogP1.06
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 61016997
2-(cyclopentylamino)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 54901558
3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 61016398
2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 61138716
2-(1-aminocyclohexyl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 64677041
2-(2-aminoethoxy)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 79474047
1-(4-methoxyphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 51099905
2-(1-aminocyclopentyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 64684360
2-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-2-carboxamide
CID 83072125
3-amino-2,2,3-trimethyl-N-[(2-methylpyrimidin-4-yl)methyl]butanamide
CID 65269676
2-[[[2-(1-aminocyclopentyl)acetyl]amino]methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64677667
N-[(2-methylpyrimidin-4-yl)methyl]-2-piperidin-4-ylacetamide
CID 54910978

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide (CID 64678565) is 2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide is Cc1nccc(CNC(=O)CC2(N)CCCC2)n1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
The InChIKey is HRVPBLORXHXYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-15-7-4-11(17-10)9-16-12(18)8-13(14)5-2-3-6-13/h4,7H,2-3,5-6,8-9,14H2,1H3,(H,16,18).
What are the key properties of 2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide?
2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide is sourced from PubChem (CID 64678565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).