[2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine

C11H9ClF2N4 — CID 114206169

IUPAC[2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(-c2ncccc2Cl)nc1C(F)F
InChIInChI=1S/C11H9ClF2N4/c12-7-2-1-3-16-9(7)11-17-5-6(4-15)8(18-11)10(13)14/h1-3,5,10H,4,15H2
InChIKeyUPCCCKUOJQMDOW-UHFFFAOYSA-N
MW270.67 g/mol
LogP2.59
Rot. Bonds3

About [2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine

[2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine (PubChem CID 114206169) has the molecular formula C11H9ClF2N4 and a molecular weight of 270.67 g/mol. Its IUPAC name is [2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine
PubChem CID114206169
Molecular FormulaC11H9ClF2N4
Molecular Weight270.67 g/mol
Exact Mass270.05
IUPAC Name[2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine
SMILESNCc1cnc(-c2ncccc2Cl)nc1C(F)F
InChIInChI=1S/C11H9ClF2N4/c12-7-2-1-3-16-9(7)11-17-5-6(4-15)8(18-11)10(13)14/h1-3,5,10H,4,15H2
InChIKeyUPCCCKUOJQMDOW-UHFFFAOYSA-N
XLogP2.59
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine
CID 114206164
[4-ethyl-2-(3-ethyl-2-pyridinyl)pyrimidin-5-yl]methanamine
CID 114206041
5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine
CID 114205871
4,6-dichloro-2-(3-chloro-2-pyridinyl)-5-iodopyrimidine
CID 103443010
[6-chloro-2-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095492
3-chloro-2-(3-chloro-2-pyridinyl)pyridine;palladium(2+)
CID 18935247
(3-chloro-2-pyridinyl)methanamine;hydrochloride
CID 86346205
5-bromo-2-(3-chloro-2-pyridinyl)pyrimidine-4-carboxylic acid
CID 106512241
2-(3-chloro-2-pyridinyl)-5-iodo-N-methylpyrimidin-4-amine
CID 103445166
N-[[2-(3-chloro-2-pyridinyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 103445314
2-[3-(3-chloro-2-pyridinyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 103445373
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 103442754

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine (CID 114206169) is [2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine is NCc1cnc(-c2ncccc2Cl)nc1C(F)F.
What is the InChIKey of [2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine?
The InChIKey is UPCCCKUOJQMDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N4/c12-7-2-1-3-16-9(7)11-17-5-6(4-15)8(18-11)10(13)14/h1-3,5,10H,4,15H2.
What are the key properties of [2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine?
[2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine has a molecular weight of 270.67 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-pyridinyl)-4-(difluoromethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114206169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).