[4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride

C6H8ClF2N3 — CID 119031436

IUPAC[4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride
SMILESCl.NCc1nccc(C(F)F)n1
InChIInChI=1S/C6H7F2N3.ClH/c7-6(8)4-1-2-10-5(3-9)11-4;/h1-2,6H,3,9H2;1H
InChIKeyWMAPERLPZQPRHZ-UHFFFAOYSA-N
MW195.60 g/mol
LogP1.29
Rot. Bonds2

About [4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride

[4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride (PubChem CID 119031436) has the molecular formula C6H8ClF2N3 and a molecular weight of 195.60 g/mol. Its IUPAC name is [4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride
PubChem CID119031436
Molecular FormulaC6H8ClF2N3
Molecular Weight195.60 g/mol
Exact Mass195.04
IUPAC Name[4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride
SMILESCl.NCc1nccc(C(F)F)n1
InChIInChI=1S/C6H7F2N3.ClH/c7-6(8)4-1-2-10-5(3-9)11-4;/h1-2,6H,3,9H2;1H
InChIKeyWMAPERLPZQPRHZ-UHFFFAOYSA-N
XLogP1.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.60
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride (CID 119031436) is [4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride is Cl.NCc1nccc(C(F)F)n1.
What is the InChIKey of [4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride?
The InChIKey is WMAPERLPZQPRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3.ClH/c7-6(8)4-1-2-10-5(3-9)11-4;/h1-2,6H,3,9H2;1H.
What are the key properties of [4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride?
[4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride has a molecular weight of 195.60 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)pyrimidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119031436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).