2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide

C18H21FN4O — CID 46963770

IUPAC2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
SMILESCN(C)c1ncc(C(=O)NC2(c3cccc(F)c3)CCCC2)cn1
InChIInChI=1S/C18H21FN4O/c1-23(2)17-20-11-13(12-21-17)16(24)22-18(8-3-4-9-18)14-6-5-7-15(19)10-14/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,22,24)
InChIKeyCLQOZYRFWQPHDT-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.88
Rot. Bonds4

About 2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide

2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide (PubChem CID 46963770) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
PubChem CID46963770
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
SMILESCN(C)c1ncc(C(=O)NC2(c3cccc(F)c3)CCCC2)cn1
InChIInChI=1S/C18H21FN4O/c1-23(2)17-20-11-13(12-21-17)16(24)22-18(8-3-4-9-18)14-6-5-7-15(19)10-14/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,22,24)
InChIKeyCLQOZYRFWQPHDT-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 16672864
1-carbamoyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
CID 110469918
1-cyclopropyl-3-[1-(3-fluorophenyl)cyclopentyl]urea
CID 110469915
N-[1-(3-chlorophenyl)cyclopentyl]-4-(dimethylamino)benzamide
CID 110444472
N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 46963776
N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110479683
2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
CID 136545691
N-(1-phenylcyclopentyl)pyrimidine-5-carboxamide
CID 110466935
(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478087
(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide
CID 119332670
ethane;2-[[1-(3-fluorophenyl)cyclopropyl]amino]-N'-(2,2,2-trifluoroacetyl)pyrimidine-5-carbohydrazide
CID 145295784
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide (CID 46963770) is 2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide is CN(C)c1ncc(C(=O)NC2(c3cccc(F)c3)CCCC2)cn1.
What is the InChIKey of 2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide?
The InChIKey is CLQOZYRFWQPHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-23(2)17-20-11-13(12-21-17)16(24)22-18(8-3-4-9-18)14-6-5-7-15(19)10-14/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,22,24).
What are the key properties of 2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide?
2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 46963770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).