[2-(3,3-difluorocyclopentyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine

C11H13F4N3 — CID 114217063

IUPAC[2-(3,3-difluorocyclopentyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(C2CCC(F)(F)C2)nc1C(F)F
InChIInChI=1S/C11H13F4N3/c12-9(13)8-7(4-16)5-17-10(18-8)6-1-2-11(14,15)3-6/h5-6,9H,1-4,16H2
InChIKeyFWCUGTOZAGFODO-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.78
Rot. Bonds3

About [2-(3,3-difluorocyclopentyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine

[2-(3,3-difluorocyclopentyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine (PubChem CID 114217063) has the molecular formula C11H13F4N3 and a molecular weight of 263.24 g/mol. Its IUPAC name is [2-(3,3-difluorocyclopentyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3,3-difluorocyclopentyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine
PubChem CID114217063
Molecular FormulaC11H13F4N3
Molecular Weight263.24 g/mol
Exact Mass263.10
IUPAC Name[2-(3,3-difluorocyclopentyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(C2CCC(F)(F)C2)nc1C(F)F
InChIInChI=1S/C11H13F4N3/c12-9(13)8-7(4-16)5-17-10(18-8)6-1-2-11(14,15)3-6/h5-6,9H,1-4,16H2
InChIKeyFWCUGTOZAGFODO-UHFFFAOYSA-N
XLogP2.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,3-difluorocyclopentyl)-4-methylpyrimidin-5-yl]ethanol
CID 114216521
5-(bromomethyl)-4-(difluoromethyl)-2-(3-ethylcyclohexyl)pyrimidine
CID 114205872
2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine
CID 114207293
(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)methanol
CID 126974115
[4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine
CID 114206164
(4-chloro-2-cyclobutylpyrimidin-5-yl)methanamine
CID 83852073
(1S)-3-amino-1-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114215243
2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid
CID 64986088
(2-cyclohexyl-4-methylpyrimidin-5-yl)methanamine
CID 82506978
2-(3,3-difluorocyclohexyl)-6-ethylpyrimidin-4-amine
CID 114216410
5-(aminomethyl)-4-propan-2-ylpyrimidin-2-amine
CID 82502995
[2,4-di(propan-2-yl)pyrimidin-5-yl]methanamine
CID 82505175

Frequently Asked Questions

What is the IUPAC name of [2-(3,3-difluorocyclopentyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(3,3-difluorocyclopentyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine (CID 114217063) is [2-(3,3-difluorocyclopentyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(3,3-difluorocyclopentyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(3,3-difluorocyclopentyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine is NCc1cnc(C2CCC(F)(F)C2)nc1C(F)F.
What is the InChIKey of [2-(3,3-difluorocyclopentyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine?
The InChIKey is FWCUGTOZAGFODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N3/c12-9(13)8-7(4-16)5-17-10(18-8)6-1-2-11(14,15)3-6/h5-6,9H,1-4,16H2.
What are the key properties of [2-(3,3-difluorocyclopentyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine?
[2-(3,3-difluorocyclopentyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine has a molecular weight of 263.24 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-difluorocyclopentyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114217063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).