[4-(difluoromethyl)pyrimidin-5-yl]methanamine

C6H7F2N3 — CID 130483517

IUPAC[4-(difluoromethyl)pyrimidin-5-yl]methanamine
SMILESNCc1cncnc1C(F)F
InChIInChI=1S/C6H7F2N3/c7-6(8)5-4(1-9)2-10-3-11-5/h2-3,6H,1,9H2
InChIKeyMPDXEPALMHMPSN-UHFFFAOYSA-N
MW159.14 g/mol
LogP0.87
Rot. Bonds2

About [4-(difluoromethyl)pyrimidin-5-yl]methanamine

[4-(difluoromethyl)pyrimidin-5-yl]methanamine (PubChem CID 130483517) has the molecular formula C6H7F2N3 and a molecular weight of 159.14 g/mol. Its IUPAC name is [4-(difluoromethyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)pyrimidin-5-yl]methanamine
PubChem CID130483517
Molecular FormulaC6H7F2N3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name[4-(difluoromethyl)pyrimidin-5-yl]methanamine
SMILESNCc1cncnc1C(F)F
InChIInChI=1S/C6H7F2N3/c7-6(8)5-4(1-9)2-10-3-11-5/h2-3,6H,1,9H2
InChIKeyMPDXEPALMHMPSN-UHFFFAOYSA-N
XLogP0.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(difluoromethyl)-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]methanamine
CID 114206164
5-(aminomethyl)-2-(difluoromethyl)-4-methylpyridin-3-amine
CID 130106302
2-[5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130098006
(4-morpholin-4-ylpyrimidin-5-yl)methanamine
CID 68698921
[4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 134671455
(4-propan-2-ylpyrimidin-5-yl)methanol
CID 130163917
4-(aminomethyl)-2-(difluoromethyl)pyridin-3-ol
CID 130097022
[2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130086810
[5-(aminomethyl)-3-bromo-2-(difluoromethyl)-4-pyridinyl]methanol
CID 130070086
(4-pyridin-2-ylpyrimidin-5-yl)methanamine
CID 83697190
4-(aminomethyl)-6-(difluoromethyl)-5-fluoropyridin-3-amine
CID 130103996
[6-chloro-4-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095491

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)pyrimidin-5-yl]methanamine?
The IUPAC name of [4-(difluoromethyl)pyrimidin-5-yl]methanamine (CID 130483517) is [4-(difluoromethyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for [4-(difluoromethyl)pyrimidin-5-yl]methanamine is NCc1cncnc1C(F)F.
What is the InChIKey of [4-(difluoromethyl)pyrimidin-5-yl]methanamine?
The InChIKey is MPDXEPALMHMPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3/c7-6(8)5-4(1-9)2-10-3-11-5/h2-3,6H,1,9H2.
What are the key properties of [4-(difluoromethyl)pyrimidin-5-yl]methanamine?
[4-(difluoromethyl)pyrimidin-5-yl]methanamine has a molecular weight of 159.14 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 130483517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).