2-imidazol-1-yl-N-[(3R)-oxan-3-yl]pyrimidine-4-carboxamide

C13H15N5O2 — CID 170610867

IUPAC2-imidazol-1-yl-N-[(3R)-oxan-3-yl]pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCOC1)c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C13H15N5O2/c19-12(16-10-2-1-7-20-8-10)11-3-4-15-13(17-11)18-6-5-14-9-18/h3-6,9-10H,1-2,7-8H2,(H,16,19)/t10-/m1/s1
InChIKeyZRWKMJMCOXYVIW-SNVBAGLBSA-N
MW273.30 g/mol
LogP0.57
Rot. Bonds3

About 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]pyrimidine-4-carboxamide

2-imidazol-1-yl-N-[(3R)-oxan-3-yl]pyrimidine-4-carboxamide (PubChem CID 170610867) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(3R)-oxan-3-yl]pyrimidine-4-carboxamide
PubChem CID170610867
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name2-imidazol-1-yl-N-[(3R)-oxan-3-yl]pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCOC1)c1ccnc(-n2ccnc2)n1
InChIInChI=1S/C13H15N5O2/c19-12(16-10-2-1-7-20-8-10)11-3-4-15-13(17-11)18-6-5-14-9-18/h3-6,9-10H,1-2,7-8H2,(H,16,19)/t10-/m1/s1
InChIKeyZRWKMJMCOXYVIW-SNVBAGLBSA-N
XLogP0.57
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]pyrimidine-4-carboxamide (CID 170610867) is 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]pyrimidine-4-carboxamide is O=C(N[C@@H]1CCCOC1)c1ccnc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]pyrimidine-4-carboxamide?
The InChIKey is ZRWKMJMCOXYVIW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-12(16-10-2-1-7-20-8-10)11-3-4-15-13(17-11)18-6-5-14-9-18/h3-6,9-10H,1-2,7-8H2,(H,16,19)/t10-/m1/s1.
What are the key properties of 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]pyrimidine-4-carboxamide?
2-imidazol-1-yl-N-[(3R)-oxan-3-yl]pyrimidine-4-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 170610867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).