N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide

C18H21FN4O — CID 71807259

IUPACN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H21FN4O/c1-12-17(13(2)21-18(20-12)23-9-3-4-10-23)22-16(24)11-14-5-7-15(19)8-6-14/h5-8H,3-4,9-11H2,1-2H3,(H,22,24)
InChIKeyKFDZCMQSUMFESN-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.01
Rot. Bonds4

About N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 71807259) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
PubChem CID71807259
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C18H21FN4O/c1-12-17(13(2)21-18(20-12)23-9-3-4-10-23)22-16(24)11-14-5-7-15(19)8-6-14/h5-8H,3-4,9-11H2,1-2H3,(H,22,24)
InChIKeyKFDZCMQSUMFESN-UHFFFAOYSA-N
XLogP3.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 122356580
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-pyrazol-1-ylacetamide
CID 122356669
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,6-difluorobenzamide
CID 71807245
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-fluorobenzamide
CID 71807242
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
CID 122356550
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666
2-(4-fluorophenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 26070733
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-(3-methylphenyl)acetamide
CID 122356836
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide
CID 122357083
N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321642
1-(4-chlorophenyl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)cyclopentane-1-carboxamide
CID 122356582
N-(2,9-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)-2-(4-fluorophenyl)acetamide
CID 46355371

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide (CID 71807259) is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide is Cc1nc(N2CCCC2)nc(C)c1NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is KFDZCMQSUMFESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-12-17(13(2)21-18(20-12)23-9-3-4-10-23)22-16(24)11-14-5-7-15(19)8-6-14/h5-8H,3-4,9-11H2,1-2H3,(H,22,24).
What are the key properties of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide?
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 328.39 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 71807259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).