N-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide

C19H21FN4O3 — CID 95812385

IUPACN-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccccc2F)c(CCNC(=O)[C@H]2CCCO2)n1
InChIInChI=1S/C19H21FN4O3/c1-12-22-11-13(18(25)24-16-6-3-2-5-14(16)20)15(23-12)8-9-21-19(26)17-7-4-10-27-17/h2-3,5-6,11,17H,4,7-10H2,1H3,(H,21,26)(H,24,25)/t17-/m1/s1
InChIKeyBIIOMDIOKBHRLT-QGZVFWFLSA-N
MW372.40 g/mol
LogP2.01
Rot. Bonds6

About N-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide

N-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide (PubChem CID 95812385) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide
PubChem CID95812385
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccccc2F)c(CCNC(=O)[C@H]2CCCO2)n1
InChIInChI=1S/C19H21FN4O3/c1-12-22-11-13(18(25)24-16-6-3-2-5-14(16)20)15(23-12)8-9-21-19(26)17-7-4-10-27-17/h2-3,5-6,11,17H,4,7-10H2,1H3,(H,21,26)(H,24,25)/t17-/m1/s1
InChIKeyBIIOMDIOKBHRLT-QGZVFWFLSA-N
XLogP2.01
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-4-[2-[[(2S)-oxolane-2-carbonyl]amino]ethyl]-N-phenylpyrimidine-5-carboxamide
CID 92619551
N-(2-fluorophenyl)-4-[2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-2-methylpyrimidine-5-carboxamide
CID 92619292
N-[2-(2-methyl-4-phenyl-1,3-oxazol-5-yl)ethyl]oxolane-2-carboxamide
CID 110671382
N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 108542235
N-[2-[(2,5-dimethylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 4916607
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
N-(2-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185196
N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]oxolane-2-carboxamide
CID 113067555
N-[2-(4-methylsulfanylphenyl)ethyl]oxolane-2-carboxamide
CID 110790566
N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000825
N-[2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030588
N-[2-(2-fluorophenoxy)butyl]oxolane-2-carboxamide
CID 71863283

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide (CID 95812385) is N-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2ccccc2F)c(CCNC(=O)[C@H]2CCCO2)n1.
What is the InChIKey of N-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide?
The InChIKey is BIIOMDIOKBHRLT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-12-22-11-13(18(25)24-16-6-3-2-5-14(16)20)15(23-12)8-9-21-19(26)17-7-4-10-27-17/h2-3,5-6,11,17H,4,7-10H2,1H3,(H,21,26)(H,24,25)/t17-/m1/s1.
What are the key properties of N-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide?
N-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methyl-4-[2-[[(2R)-oxolane-2-carbonyl]amino]ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 95812385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).