3-cyclopropyl-3-hydroxy-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]propanamide

C12H17N3O3 — CID 166268511

IUPAC3-cyclopropyl-3-hydroxy-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]propanamide
SMILESCc1ncc(CNC(=O)CC(O)C2CC2)c(=O)[nH]1
InChIInChI=1S/C12H17N3O3/c1-7-13-5-9(12(18)15-7)6-14-11(17)4-10(16)8-2-3-8/h5,8,10,16H,2-4,6H2,1H3,(H,14,17)(H,13,15,18)
InChIKeyPBUSAQFELMCQCD-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.14
Rot. Bonds5

About 3-cyclopropyl-3-hydroxy-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]propanamide

3-cyclopropyl-3-hydroxy-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]propanamide (PubChem CID 166268511) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-cyclopropyl-3-hydroxy-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-hydroxy-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]propanamide
PubChem CID166268511
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-cyclopropyl-3-hydroxy-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]propanamide
SMILESCc1ncc(CNC(=O)CC(O)C2CC2)c(=O)[nH]1
InChIInChI=1S/C12H17N3O3/c1-7-13-5-9(12(18)15-7)6-14-11(17)4-10(16)8-2-3-8/h5,8,10,16H,2-4,6H2,1H3,(H,14,17)(H,13,15,18)
InChIKeyPBUSAQFELMCQCD-UHFFFAOYSA-N
XLogP-0.14
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-hydroxy-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]propanamide?
The IUPAC name of 3-cyclopropyl-3-hydroxy-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]propanamide (CID 166268511) is 3-cyclopropyl-3-hydroxy-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]propanamide.
What is the SMILES notation for 3-cyclopropyl-3-hydroxy-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]propanamide?
The canonical SMILES for 3-cyclopropyl-3-hydroxy-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]propanamide is Cc1ncc(CNC(=O)CC(O)C2CC2)c(=O)[nH]1.
What is the InChIKey of 3-cyclopropyl-3-hydroxy-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]propanamide?
The InChIKey is PBUSAQFELMCQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-13-5-9(12(18)15-7)6-14-11(17)4-10(16)8-2-3-8/h5,8,10,16H,2-4,6H2,1H3,(H,14,17)(H,13,15,18).
What are the key properties of 3-cyclopropyl-3-hydroxy-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]propanamide?
3-cyclopropyl-3-hydroxy-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]propanamide has a molecular weight of 251.29 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-hydroxy-N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]propanamide is sourced from PubChem (CID 166268511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).