2-(4,4-difluoropiperidin-1-yl)-6-methyl-1,2-dihydropyrimidin-4-amine

C10H16F2N4 — CID 166801153

IUPAC2-(4,4-difluoropiperidin-1-yl)-6-methyl-1,2-dihydropyrimidin-4-amine
SMILESCC1=CC(N)=NC(N2CCC(F)(F)CC2)N1
InChIInChI=1S/C10H16F2N4/c1-7-6-8(13)15-9(14-7)16-4-2-10(11,12)3-5-16/h6,9,14H,2-5H2,1H3,(H2,13,15)
InChIKeyFMGLDJZBMXAPIH-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.87
Rot. Bonds1

About 2-(4,4-difluoropiperidin-1-yl)-6-methyl-1,2-dihydropyrimidin-4-amine

2-(4,4-difluoropiperidin-1-yl)-6-methyl-1,2-dihydropyrimidin-4-amine (PubChem CID 166801153) has the molecular formula C10H16F2N4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-6-methyl-1,2-dihydropyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-6-methyl-1,2-dihydropyrimidin-4-amine
PubChem CID166801153
Molecular FormulaC10H16F2N4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-6-methyl-1,2-dihydropyrimidin-4-amine
SMILESCC1=CC(N)=NC(N2CCC(F)(F)CC2)N1
InChIInChI=1S/C10H16F2N4/c1-7-6-8(13)15-9(14-7)16-4-2-10(11,12)3-5-16/h6,9,14H,2-5H2,1H3,(H2,13,15)
InChIKeyFMGLDJZBMXAPIH-UHFFFAOYSA-N
XLogP0.87
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-methyl-1,2-dihydropyrimidin-4-amine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-methyl-1,2-dihydropyrimidin-4-amine (CID 166801153) is 2-(4,4-difluoropiperidin-1-yl)-6-methyl-1,2-dihydropyrimidin-4-amine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-6-methyl-1,2-dihydropyrimidin-4-amine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-6-methyl-1,2-dihydropyrimidin-4-amine is CC1=CC(N)=NC(N2CCC(F)(F)CC2)N1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-6-methyl-1,2-dihydropyrimidin-4-amine?
The InChIKey is FMGLDJZBMXAPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4/c1-7-6-8(13)15-9(14-7)16-4-2-10(11,12)3-5-16/h6,9,14H,2-5H2,1H3,(H2,13,15).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-6-methyl-1,2-dihydropyrimidin-4-amine?
2-(4,4-difluoropiperidin-1-yl)-6-methyl-1,2-dihydropyrimidin-4-amine has a molecular weight of 230.26 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-6-methyl-1,2-dihydropyrimidin-4-amine is sourced from PubChem (CID 166801153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).