N-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide

C16H25N3O2 — CID 137010429

IUPACN-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)NC2CCC(C)(C)C2)c(=O)[nH]1
InChIInChI=1S/C16H25N3O2/c1-10-13(15(21)18-11(2)17-10)5-6-14(20)19-12-7-8-16(3,4)9-12/h12H,5-9H2,1-4H3,(H,19,20)(H,17,18,21)
InChIKeyOGOORVXNDHEVJT-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.01
Rot. Bonds4

About N-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide

N-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 137010429) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID137010429
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)NC2CCC(C)(C)C2)c(=O)[nH]1
InChIInChI=1S/C16H25N3O2/c1-10-13(15(21)18-11(2)17-10)5-6-14(20)19-12-7-8-16(3,4)9-12/h12H,5-9H2,1-4H3,(H,19,20)(H,17,18,21)
InChIKeyOGOORVXNDHEVJT-UHFFFAOYSA-N
XLogP2.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 137010429) is N-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is Cc1nc(C)c(CCC(=O)NC2CCC(C)(C)C2)c(=O)[nH]1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is OGOORVXNDHEVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10-13(15(21)18-11(2)17-10)5-6-14(20)19-12-7-8-16(3,4)9-12/h12H,5-9H2,1-4H3,(H,19,20)(H,17,18,21).
What are the key properties of N-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 137010429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).