2-cyclopropyl-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide

C14H21N3O4 — CID 135998945

IUPAC2-cyclopropyl-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1c(C)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C14H21N3O4/c1-8-11(13(19)16-12(15-8)9-4-5-9)14(20)17(2)6-10(18)7-21-3/h9-10,18H,4-7H2,1-3H3,(H,15,16,19)
InChIKeyVMMYDDYAJHPIGM-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.04
Rot. Bonds6

About 2-cyclopropyl-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 135998945) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID135998945
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-cyclopropyl-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1c(C)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C14H21N3O4/c1-8-11(13(19)16-12(15-8)9-4-5-9)14(20)17(2)6-10(18)7-21-3/h9-10,18H,4-7H2,1-3H3,(H,15,16,19)
InChIKeyVMMYDDYAJHPIGM-UHFFFAOYSA-N
XLogP0.04
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 135998945) is 2-cyclopropyl-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide is COCC(O)CN(C)C(=O)c1c(C)nc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is VMMYDDYAJHPIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-8-11(13(19)16-12(15-8)9-4-5-9)14(20)17(2)6-10(18)7-21-3/h9-10,18H,4-7H2,1-3H3,(H,15,16,19).
What are the key properties of 2-cyclopropyl-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2-hydroxy-3-methoxypropyl)-N,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 135998945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).