N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide

C13H15N5O2 — CID 122301072

IUPACN-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide
SMILESCc1nccn1-c1ncc(NC(=O)C2CCOC2)cn1
InChIInChI=1S/C13H15N5O2/c1-9-14-3-4-18(9)13-15-6-11(7-16-13)17-12(19)10-2-5-20-8-10/h3-4,6-7,10H,2,5,8H2,1H3,(H,17,19)
InChIKeyGGDVZSVANVSKST-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.95
Rot. Bonds3

About N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide

N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide (PubChem CID 122301072) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide
PubChem CID122301072
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide
SMILESCc1nccn1-c1ncc(NC(=O)C2CCOC2)cn1
InChIInChI=1S/C13H15N5O2/c1-9-14-3-4-18(9)13-15-6-11(7-16-13)17-12(19)10-2-5-20-8-10/h3-4,6-7,10H,2,5,8H2,1H3,(H,17,19)
InChIKeyGGDVZSVANVSKST-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide
CID 122301376
(3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide
CID 122291873
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide
CID 122312470
2-cyclopentyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]acetamide
CID 122301003
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
CID 122299154
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
CID 122300497
4-amino-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]oxolane-3-carboxamide
CID 66240019
4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301151
1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea
CID 71789920
N-(2-bromo-4-pyridinyl)oxolane-3-carboxamide
CID 130752406
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 122301114

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide (CID 122301072) is N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide is Cc1nccn1-c1ncc(NC(=O)C2CCOC2)cn1.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide?
The InChIKey is GGDVZSVANVSKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-9-14-3-4-18(9)13-15-6-11(7-16-13)17-12(19)10-2-5-20-8-10/h3-4,6-7,10H,2,5,8H2,1H3,(H,17,19).
What are the key properties of N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide?
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide is sourced from PubChem (CID 122301072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).