6-(difluoromethyl)-N-[[(2R,5R)-5-phenyloxolan-2-yl]methyl]pyrimidine-4-carboxamide

C17H17F2N3O2 — CID 138023525

IUPAC6-(difluoromethyl)-N-[[(2R,5R)-5-phenyloxolan-2-yl]methyl]pyrimidine-4-carboxamide
SMILESO=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc(C(F)F)ncn1
InChIInChI=1S/C17H17F2N3O2/c18-16(19)13-8-14(22-10-21-13)17(23)20-9-12-6-7-15(24-12)11-4-2-1-3-5-11/h1-5,8,10,12,15-16H,6-7,9H2,(H,20,23)/t12-,15-/m1/s1
InChIKeyXHFSHHBMWMREIG-IUODEOHRSA-N
MW333.34 g/mol
LogP3.06
Rot. Bonds5

About 6-(difluoromethyl)-N-[[(2R,5R)-5-phenyloxolan-2-yl]methyl]pyrimidine-4-carboxamide

6-(difluoromethyl)-N-[[(2R,5R)-5-phenyloxolan-2-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 138023525) has the molecular formula C17H17F2N3O2 and a molecular weight of 333.34 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[[(2R,5R)-5-phenyloxolan-2-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[[(2R,5R)-5-phenyloxolan-2-yl]methyl]pyrimidine-4-carboxamide
PubChem CID138023525
Molecular FormulaC17H17F2N3O2
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name6-(difluoromethyl)-N-[[(2R,5R)-5-phenyloxolan-2-yl]methyl]pyrimidine-4-carboxamide
SMILESO=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc(C(F)F)ncn1
InChIInChI=1S/C17H17F2N3O2/c18-16(19)13-8-14(22-10-21-13)17(23)20-9-12-6-7-15(24-12)11-4-2-1-3-5-11/h1-5,8,10,12,15-16H,6-7,9H2,(H,20,23)/t12-,15-/m1/s1
InChIKeyXHFSHHBMWMREIG-IUODEOHRSA-N
XLogP3.06
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(2-phenylmorpholin-4-yl)pyrimidine-4-carboxamide
CID 153321103
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide
CID 71087735
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide
CID 71087896
US9790230, Example 81
CID 118700349
US9790230, Example 42
CID 118859490
US11572374, Example 12-3
CID 166027578
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-methylpyrimidine-4-carboxamide
CID 51094238
(2-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone
CID 164633702
(6-methylpyrimidin-4-yl)-[(7S)-7-phenyl-1,4-oxazepan-4-yl]methanone
CID 164635919
N-[(3R,4S)-3-phenylmethoxyoxan-4-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 164636601
6-(difluoromethyl)-N-[(2R,3S)-2-phenyloxolan-3-yl]pyrimidine-4-carboxamide
CID 164640313
Methyl 6-(4-fluoro-3-methylbenzylcarbamoyl)pyrimidine-4-carboxylate
CID 12997477

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[[(2R,5R)-5-phenyloxolan-2-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[[(2R,5R)-5-phenyloxolan-2-yl]methyl]pyrimidine-4-carboxamide (CID 138023525) is 6-(difluoromethyl)-N-[[(2R,5R)-5-phenyloxolan-2-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[[(2R,5R)-5-phenyloxolan-2-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[[(2R,5R)-5-phenyloxolan-2-yl]methyl]pyrimidine-4-carboxamide is O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc(C(F)F)ncn1.
What is the InChIKey of 6-(difluoromethyl)-N-[[(2R,5R)-5-phenyloxolan-2-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is XHFSHHBMWMREIG-IUODEOHRSA-N. The full InChI is InChI=1S/C17H17F2N3O2/c18-16(19)13-8-14(22-10-21-13)17(23)20-9-12-6-7-15(24-12)11-4-2-1-3-5-11/h1-5,8,10,12,15-16H,6-7,9H2,(H,20,23)/t12-,15-/m1/s1.
What are the key properties of 6-(difluoromethyl)-N-[[(2R,5R)-5-phenyloxolan-2-yl]methyl]pyrimidine-4-carboxamide?
6-(difluoromethyl)-N-[[(2R,5R)-5-phenyloxolan-2-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 333.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[[(2R,5R)-5-phenyloxolan-2-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 138023525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).