N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide

C8H6ClF2N3O — CID 165133353

IUPACN-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc(Cl)ncn1)C1CC1(F)F
InChIInChI=1S/C8H6ClF2N3O/c9-5-1-6(13-3-12-5)14-7(15)4-2-8(4,10)11/h1,3-4H,2H2,(H,12,13,14,15)
InChIKeyNIQIRXPXYHSXOP-UHFFFAOYSA-N
MW233.60 g/mol
LogP1.72
Rot. Bonds2

About N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide

N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 165133353) has the molecular formula C8H6ClF2N3O and a molecular weight of 233.60 g/mol. Its IUPAC name is N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide
PubChem CID165133353
Molecular FormulaC8H6ClF2N3O
Molecular Weight233.60 g/mol
Exact Mass233.02
IUPAC NameN-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide
SMILESO=C(Nc1cc(Cl)ncn1)C1CC1(F)F
InChIInChI=1S/C8H6ClF2N3O/c9-5-1-6(13-3-12-5)14-7(15)4-2-8(4,10)11/h1,3-4H,2H2,(H,12,13,14,15)
InChIKeyNIQIRXPXYHSXOP-UHFFFAOYSA-N
XLogP1.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.60
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,6R)-6-[(6-chloropyrimidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114049218
N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine
CID 160592150
3-amino-N-(6-chloropyrimidin-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114049450
cis-(1R,3S)-3-amino-N-(6-chloropyrimidin-4-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 154700196
N-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine
CID 165133484
N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 123638176
trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide
CID 174027519
N-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 171758758
N-(6-chloropyrimidin-4-yl)-4-methylpiperidine-4-carboxamide
CID 114049460
(1S)-N-[5-(2-chloropyrimidin-4-yl)-2-pyridinyl]-2,2-difluorocyclopropane-1-carboxamide
CID 161228756
trans-(1S,2S)-N-(6-chloropyrimidin-4-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132393
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide (CID 165133353) is N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide is O=C(Nc1cc(Cl)ncn1)C1CC1(F)F.
What is the InChIKey of N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is NIQIRXPXYHSXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2N3O/c9-5-1-6(13-3-12-5)14-7(15)4-2-8(4,10)11/h1,3-4H,2H2,(H,12,13,14,15).
What are the key properties of N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide?
N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 233.60 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 165133353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).