6-[(1R)-1,2-dihydroxyethyl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide

C19H16FN3O4 — CID 71571985

IUPAC6-[(1R)-1,2-dihydroxyethyl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc([C@@H](O)CO)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H16FN3O4/c20-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)19-22-15(17(25)10-24)9-16(23-19)18(21)26/h1-9,17,24-25H,10H2,(H2,21,26)/t17-/m0/s1
InChIKeyXYLBRBNTXPIXCN-KRWDZBQOSA-N
MW369.35 g/mol
LogP2.20
Rot. Bonds6

About 6-[(1R)-1,2-dihydroxyethyl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide

6-[(1R)-1,2-dihydroxyethyl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide (PubChem CID 71571985) has the molecular formula C19H16FN3O4 and a molecular weight of 369.35 g/mol. Its IUPAC name is 6-[(1R)-1,2-dihydroxyethyl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(1R)-1,2-dihydroxyethyl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
PubChem CID71571985
Molecular FormulaC19H16FN3O4
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name6-[(1R)-1,2-dihydroxyethyl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc([C@@H](O)CO)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C19H16FN3O4/c20-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)19-22-15(17(25)10-24)9-16(23-19)18(21)26/h1-9,17,24-25H,10H2,(H2,21,26)/t17-/m0/s1
InChIKeyXYLBRBNTXPIXCN-KRWDZBQOSA-N
XLogP2.20
TPSA118.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(1S)-1,2-dihydroxyethyl]-4-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56943193
N-(1-amino-1-oxopropan-2-yl)-6-(1,2-dihydroxyethyl)-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
CID 78116838
6-(1,2-dihydroxyethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]pyridine-2-carboxamide
CID 77169407
6-[(2-amino-2-oxoethyl)amino]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
CID 71283530
4-[(2R)-2,3-dihydroxypropyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66799547
methyl 2-[[6-carbamoyl-2-[4-(4-fluorophenoxy)phenyl]pyrimidin-4-yl]amino]propanoate
CID 71283438
2-[4-(4-fluorophenoxy)phenyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 130181617
6-[(2S)-1-amino-3-oxopropan-2-yl]oxy-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
CID 89422524
(1R)-1-[2-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol
CID 66801770
6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
CID 71283242
4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66806391
2-[4-(4-fluorophenoxy)phenyl]-6-(6-oxa-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidine-4-carboxamide
CID 89422459

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1,2-dihydroxyethyl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(1R)-1,2-dihydroxyethyl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide (CID 71571985) is 6-[(1R)-1,2-dihydroxyethyl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(1R)-1,2-dihydroxyethyl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(1R)-1,2-dihydroxyethyl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide is NC(=O)c1cc([C@@H](O)CO)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 6-[(1R)-1,2-dihydroxyethyl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide?
The InChIKey is XYLBRBNTXPIXCN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16FN3O4/c20-12-3-7-14(8-4-12)27-13-5-1-11(2-6-13)19-22-15(17(25)10-24)9-16(23-19)18(21)26/h1-9,17,24-25H,10H2,(H2,21,26)/t17-/m0/s1.
What are the key properties of 6-[(1R)-1,2-dihydroxyethyl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide?
6-[(1R)-1,2-dihydroxyethyl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1,2-dihydroxyethyl]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 71571985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).