6-(difluoromethyl)-N-[(2R,3S)-2-phenyloxolan-3-yl]pyrimidine-4-carboxamide

C16H15F2N3O2 — CID 164640313

IUPAC6-(difluoromethyl)-N-[(2R,3S)-2-phenyloxolan-3-yl]pyrimidine-4-carboxamide
SMILESO=C(N[C@H]1CCO[C@@H]1c1ccccc1)c1cc(C(F)F)ncn1
InChIInChI=1S/C16H15F2N3O2/c17-15(18)12-8-13(20-9-19-12)16(22)21-11-6-7-23-14(11)10-4-2-1-3-5-10/h1-5,8-9,11,14-15H,6-7H2,(H,21,22)/t11-,14+/m0/s1
InChIKeyNNKQRTFLHAGZEC-SMDDNHRTSA-N
MW319.31 g/mol
LogP2.67
Rot. Bonds4

About 6-(difluoromethyl)-N-[(2R,3S)-2-phenyloxolan-3-yl]pyrimidine-4-carboxamide

6-(difluoromethyl)-N-[(2R,3S)-2-phenyloxolan-3-yl]pyrimidine-4-carboxamide (PubChem CID 164640313) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[(2R,3S)-2-phenyloxolan-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[(2R,3S)-2-phenyloxolan-3-yl]pyrimidine-4-carboxamide
PubChem CID164640313
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name6-(difluoromethyl)-N-[(2R,3S)-2-phenyloxolan-3-yl]pyrimidine-4-carboxamide
SMILESO=C(N[C@H]1CCO[C@@H]1c1ccccc1)c1cc(C(F)F)ncn1
InChIInChI=1S/C16H15F2N3O2/c17-15(18)12-8-13(20-9-19-12)16(22)21-11-6-7-23-14(11)10-4-2-1-3-5-10/h1-5,8-9,11,14-15H,6-7H2,(H,21,22)/t11-,14+/m0/s1
InChIKeyNNKQRTFLHAGZEC-SMDDNHRTSA-N
XLogP2.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[(2R,3S)-2-phenyloxolan-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[(2R,3S)-2-phenyloxolan-3-yl]pyrimidine-4-carboxamide (CID 164640313) is 6-(difluoromethyl)-N-[(2R,3S)-2-phenyloxolan-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[(2R,3S)-2-phenyloxolan-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[(2R,3S)-2-phenyloxolan-3-yl]pyrimidine-4-carboxamide is O=C(N[C@H]1CCO[C@@H]1c1ccccc1)c1cc(C(F)F)ncn1.
What is the InChIKey of 6-(difluoromethyl)-N-[(2R,3S)-2-phenyloxolan-3-yl]pyrimidine-4-carboxamide?
The InChIKey is NNKQRTFLHAGZEC-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c17-15(18)12-8-13(20-9-19-12)16(22)21-11-6-7-23-14(11)10-4-2-1-3-5-10/h1-5,8-9,11,14-15H,6-7H2,(H,21,22)/t11-,14+/m0/s1.
What are the key properties of 6-(difluoromethyl)-N-[(2R,3S)-2-phenyloxolan-3-yl]pyrimidine-4-carboxamide?
6-(difluoromethyl)-N-[(2R,3S)-2-phenyloxolan-3-yl]pyrimidine-4-carboxamide has a molecular weight of 319.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[(2R,3S)-2-phenyloxolan-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 164640313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).