6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide

C22H21FN4O2 — CID 112853587

IUPAC6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(Nc2ccccc2F)nc(-c2ccccc2)n1
InChIInChI=1S/C22H21FN4O2/c23-17-10-4-5-11-18(17)25-20-13-19(22(28)24-14-16-9-6-12-29-16)26-21(27-20)15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16H,6,9,12,14H2,(H,24,28)(H,25,26,27)
InChIKeyIWXBAHKGQXLNOA-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.94
Rot. Bonds6

About 6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide

6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853587) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853587
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(Nc2ccccc2F)nc(-c2ccccc2)n1
InChIInChI=1S/C22H21FN4O2/c23-17-10-4-5-11-18(17)25-20-13-19(22(28)24-14-16-9-6-12-29-16)26-21(27-20)15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16H,6,9,12,14H2,(H,24,28)(H,25,26,27)
InChIKeyIWXBAHKGQXLNOA-UHFFFAOYSA-N
XLogP3.94
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853574
2-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300968
N-butyl-6-(2-fluoroanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852323
5-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185019
N-(oxolan-2-ylmethyl)-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112853570
2-methyl-N-(oxolan-2-ylmethyl)-6-[2-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109365945
4-N-(2-fluorophenyl)-2-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935750
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853553
N-(oxolan-2-ylmethyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109344046
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide (CID 112853587) is 6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide is O=C(NCC1CCCO1)c1cc(Nc2ccccc2F)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is IWXBAHKGQXLNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-17-10-4-5-11-18(17)25-20-13-19(22(28)24-14-16-9-6-12-29-16)26-21(27-20)15-7-2-1-3-8-15/h1-5,7-8,10-11,13,16H,6,9,12,14H2,(H,24,28)(H,25,26,27).
What are the key properties of 6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide?
6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroanilino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).