2-cyclopropyl-6-oxo-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]-1H-pyrimidine-4-carboxamide

C16H23N3O3 — CID 137136403

IUPAC2-cyclopropyl-6-oxo-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]-1H-pyrimidine-4-carboxamide
SMILESCC1(C)C[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C(C)(C)O1
InChIInChI=1S/C16H23N3O3/c1-15(2)8-11(16(3,4)22-15)18-14(21)10-7-12(20)19-13(17-10)9-5-6-9/h7,9,11H,5-6,8H2,1-4H3,(H,18,21)(H,17,19,20)/t11-/m0/s1
InChIKeyORLQYBCFXQGNBK-NSHDSACASA-N
MW305.38 g/mol
LogP1.72
Rot. Bonds3

About 2-cyclopropyl-6-oxo-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]-1H-pyrimidine-4-carboxamide

2-cyclopropyl-6-oxo-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]-1H-pyrimidine-4-carboxamide (PubChem CID 137136403) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-cyclopropyl-6-oxo-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-oxo-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]-1H-pyrimidine-4-carboxamide
PubChem CID137136403
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-cyclopropyl-6-oxo-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]-1H-pyrimidine-4-carboxamide
SMILESCC1(C)C[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C(C)(C)O1
InChIInChI=1S/C16H23N3O3/c1-15(2)8-11(16(3,4)22-15)18-14(21)10-7-12(20)19-13(17-10)9-5-6-9/h7,9,11H,5-6,8H2,1-4H3,(H,18,21)(H,17,19,20)/t11-/m0/s1
InChIKeyORLQYBCFXQGNBK-NSHDSACASA-N
XLogP1.72
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-oxo-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-oxo-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]-1H-pyrimidine-4-carboxamide (CID 137136403) is 2-cyclopropyl-6-oxo-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-oxo-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-oxo-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]-1H-pyrimidine-4-carboxamide is CC1(C)C[C@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)C(C)(C)O1.
What is the InChIKey of 2-cyclopropyl-6-oxo-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]-1H-pyrimidine-4-carboxamide?
The InChIKey is ORLQYBCFXQGNBK-NSHDSACASA-N. The full InChI is InChI=1S/C16H23N3O3/c1-15(2)8-11(16(3,4)22-15)18-14(21)10-7-12(20)19-13(17-10)9-5-6-9/h7,9,11H,5-6,8H2,1-4H3,(H,18,21)(H,17,19,20)/t11-/m0/s1.
What are the key properties of 2-cyclopropyl-6-oxo-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-6-oxo-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]-1H-pyrimidine-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-oxo-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 137136403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).