2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-6-oxo-1H-pyrimidine-4-carboxamide

C15H21N3O3 — CID 137152980

IUPAC2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC1(C)C[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)CCO1
InChIInChI=1S/C15H21N3O3/c1-15(2)8-10(5-6-21-15)16-14(20)11-7-12(19)18-13(17-11)9-3-4-9/h7,9-10H,3-6,8H2,1-2H3,(H,16,20)(H,17,18,19)/t10-/m0/s1
InChIKeyOVOYFHCSAAQPFD-JTQLQIEISA-N
MW291.35 g/mol
LogP1.33
Rot. Bonds3

About 2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-6-oxo-1H-pyrimidine-4-carboxamide

2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 137152980) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID137152980
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC1(C)C[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)CCO1
InChIInChI=1S/C15H21N3O3/c1-15(2)8-10(5-6-21-15)16-14(20)11-7-12(19)18-13(17-11)9-3-4-9/h7,9-10H,3-6,8H2,1-2H3,(H,16,20)(H,17,18,19)/t10-/m0/s1
InChIKeyOVOYFHCSAAQPFD-JTQLQIEISA-N
XLogP1.33
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 137152980) is 2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-6-oxo-1H-pyrimidine-4-carboxamide is CC1(C)C[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)CCO1.
What is the InChIKey of 2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is OVOYFHCSAAQPFD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2)8-10(5-6-21-15)16-14(20)11-7-12(19)18-13(17-11)9-3-4-9/h7,9-10H,3-6,8H2,1-2H3,(H,16,20)(H,17,18,19)/t10-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(4S)-2,2-dimethyloxan-4-yl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137152980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).