2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide

C15H19N5O2 — CID 128986079

IUPAC2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)nc(C)n1
InChIInChI=1S/C15H19N5O2/c1-9-8-12(18-10(2)17-9)15(21)19-11-4-7-22-13(11)14-16-5-6-20(14)3/h5-6,8,11,13H,4,7H2,1-3H3,(H,19,21)/t11-,13-/m0/s1
InChIKeyPAUOYCKHAXTZIH-AAEUAGOBSA-N
MW301.35 g/mol
LogP1.09
Rot. Bonds3

About 2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide

2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide (PubChem CID 128986079) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide
PubChem CID128986079
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)nc(C)n1
InChIInChI=1S/C15H19N5O2/c1-9-8-12(18-10(2)17-9)15(21)19-11-4-7-22-13(11)14-16-5-6-20(14)3/h5-6,8,11,13H,4,7H2,1-3H3,(H,19,21)/t11-,13-/m0/s1
InChIKeyPAUOYCKHAXTZIH-AAEUAGOBSA-N
XLogP1.09
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide
CID 154738095
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 128986161
2-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1,3-benzoxazole-6-carboxamide
CID 154736632
1-cyclopropyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrrole-2-carboxamide
CID 128968417
2-(3,5-dimethylpyrazol-1-yl)-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]acetamide
CID 128986083
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]cycloheptene-1-carboxamide
CID 128989683
5-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 128973427
6-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidin-4-amine
CID 128977675
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-6-methylpyridine-2-carboxamide
CID 128986179
2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide
CID 91795988
N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]oxane-2-carboxamide
CID 128970459
3-fluoro-4-methoxy-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]benzamide
CID 128972203

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide (CID 128986079) is 2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide is Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2nccn2C)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide?
The InChIKey is PAUOYCKHAXTZIH-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-8-12(18-10(2)17-9)15(21)19-11-4-7-22-13(11)14-16-5-6-20(14)3/h5-6,8,11,13H,4,7H2,1-3H3,(H,19,21)/t11-,13-/m0/s1.
What are the key properties of 2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide?
2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 128986079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).