2,4-dioxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyrimidine-6-carboxamide

C12H13N5O4 — CID 97428152

IUPAC2,4-dioxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyrimidine-6-carboxamide
SMILESO=C(Nc1cnn([C@H]2CCOC2)c1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H13N5O4/c18-10-3-9(15-12(20)16-10)11(19)14-7-4-13-17(5-7)8-1-2-21-6-8/h3-5,8H,1-2,6H2,(H,14,19)(H2,15,16,18,20)/t8-/m0/s1
InChIKeyFVKDGLJSMXMXIZ-QMMMGPOBSA-N
MW291.27 g/mol
LogP-0.53
Rot. Bonds3

About 2,4-dioxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyrimidine-6-carboxamide

2,4-dioxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyrimidine-6-carboxamide (PubChem CID 97428152) has the molecular formula C12H13N5O4 and a molecular weight of 291.27 g/mol. Its IUPAC name is 2,4-dioxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyrimidine-6-carboxamide
PubChem CID97428152
Molecular FormulaC12H13N5O4
Molecular Weight291.27 g/mol
Exact Mass291.10
IUPAC Name2,4-dioxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyrimidine-6-carboxamide
SMILESO=C(Nc1cnn([C@H]2CCOC2)c1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H13N5O4/c18-10-3-9(15-12(20)16-10)11(19)14-7-4-13-17(5-7)8-1-2-21-6-8/h3-5,8H,1-2,6H2,(H,14,19)(H2,15,16,18,20)/t8-/m0/s1
InChIKeyFVKDGLJSMXMXIZ-QMMMGPOBSA-N
XLogP-0.53
TPSA121.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyrimidine-6-carboxamide (CID 97428152) is 2,4-dioxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyrimidine-6-carboxamide is O=C(Nc1cnn([C@H]2CCOC2)c1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyrimidine-6-carboxamide?
The InChIKey is FVKDGLJSMXMXIZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13N5O4/c18-10-3-9(15-12(20)16-10)11(19)14-7-4-13-17(5-7)8-1-2-21-6-8/h3-5,8H,1-2,6H2,(H,14,19)(H2,15,16,18,20)/t8-/m0/s1.
What are the key properties of 2,4-dioxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyrimidine-6-carboxamide?
2,4-dioxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyrimidine-6-carboxamide has a molecular weight of 291.27 g/mol, XLogP of -0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 97428152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).