N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide

C17H17F2N3O — CID 74239991

IUPACN-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NC2(c3cc(F)ccc3F)CC2)cn1
InChIInChI=1S/C17H17F2N3O/c1-10(2)15-20-8-11(9-21-15)16(23)22-17(5-6-17)13-7-12(18)3-4-14(13)19/h3-4,7-10H,5-6H2,1-2H3,(H,22,23)
InChIKeyBTEIQBACLUTHCR-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.30
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide

N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 74239991) has the molecular formula C17H17F2N3O and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID74239991
Molecular FormulaC17H17F2N3O
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC NameN-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NC2(c3cc(F)ccc3F)CC2)cn1
InChIInChI=1S/C17H17F2N3O/c1-10(2)15-20-8-11(9-21-15)16(23)22-17(5-6-17)13-7-12(18)3-4-14(13)19/h3-4,7-10H,5-6H2,1-2H3,(H,22,23)
InChIKeyBTEIQBACLUTHCR-UHFFFAOYSA-N
XLogP3.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methoxypyridine-2-carboxamide
CID 122562392
N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methoxy-6-methylbenzamide
CID 131908378
N-[1-(2,5-difluorophenyl)cyclopropyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131896806
5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 119136012
N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441688
N-[2-(4,4-difluoro-6,6-dimethylcyclohexen-1-yl)-4-(2,5-difluorophenyl)-3-pyridinyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 170179200
5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120690311
2-[[1-(5-chloro-2-fluorophenyl)cyclobutyl]amino]-N'-(2,2-difluoroacetyl)pyrimidine-5-carbohydrazide
CID 129032833
N-[1-(2,5-difluorophenyl)cyclopropyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170512927
N'-[1-(2,5-difluorophenyl)cyclopropyl]-N-(2,3-dimethylphenyl)propanediamide
CID 50952194
1-[1-(2,5-difluorophenyl)cyclopropyl]ethanol
CID 83686225
2-(dimethylamino)-N-[1-(3-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
CID 46963770

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide (CID 74239991) is N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide is CC(C)c1ncc(C(=O)NC2(c3cc(F)ccc3F)CC2)cn1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is BTEIQBACLUTHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O/c1-10(2)15-20-8-11(9-21-15)16(23)22-17(5-6-17)13-7-12(18)3-4-14(13)19/h3-4,7-10H,5-6H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide?
N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)cyclopropyl]-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 74239991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).