1-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride

C7H10ClF2N3 — CID 139022490

IUPAC1-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)c1nccc(C(F)F)n1.Cl
InChIInChI=1S/C7H9F2N3.ClH/c1-4(10)7-11-3-2-5(12-7)6(8)9;/h2-4,6H,10H2,1H3;1H
InChIKeyPRDAADACDBFFMI-UHFFFAOYSA-N
MW209.63 g/mol
LogP1.86
Rot. Bonds2

About 1-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride

1-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride (PubChem CID 139022490) has the molecular formula C7H10ClF2N3 and a molecular weight of 209.63 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride
PubChem CID139022490
Molecular FormulaC7H10ClF2N3
Molecular Weight209.63 g/mol
Exact Mass209.05
IUPAC Name1-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)c1nccc(C(F)F)n1.Cl
InChIInChI=1S/C7H9F2N3.ClH/c1-4(10)7-11-3-2-5(12-7)6(8)9;/h2-4,6H,10H2,1H3;1H
InChIKeyPRDAADACDBFFMI-UHFFFAOYSA-N
XLogP1.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride (CID 139022490) is 1-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride is CC(N)c1nccc(C(F)F)n1.Cl.
What is the InChIKey of 1-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride?
The InChIKey is PRDAADACDBFFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3.ClH/c1-4(10)7-11-3-2-5(12-7)6(8)9;/h2-4,6H,10H2,1H3;1H.
What are the key properties of 1-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride?
1-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride has a molecular weight of 209.63 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 139022490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).