6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine

C16H25FN4 — CID 139453637

IUPAC6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC1CC(C2NCCC=C2C2CCN=C(N)N2)C=CC1F
InChIInChI=1S/C16H25FN4/c1-10-9-11(4-5-13(10)17)15-12(3-2-7-19-15)14-6-8-20-16(18)21-14/h3-5,10-11,13-15,19H,2,6-9H2,1H3,(H3,18,20,21)
InChIKeyVIVUKGPAKZPGHX-UHFFFAOYSA-N
MW292.40 g/mol
LogP1.50
Rot. Bonds2

About 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine

6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 139453637) has the molecular formula C16H25FN4 and a molecular weight of 292.40 g/mol. Its IUPAC name is 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID139453637
Molecular FormulaC16H25FN4
Molecular Weight292.40 g/mol
Exact Mass292.21
IUPAC Name6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC1CC(C2NCCC=C2C2CCN=C(N)N2)C=CC1F
InChIInChI=1S/C16H25FN4/c1-10-9-11(4-5-13(10)17)15-12(3-2-7-19-15)14-6-8-20-16(18)21-14/h3-5,10-11,13-15,19H,2,6-9H2,1H3,(H3,18,20,21)
InChIKeyVIVUKGPAKZPGHX-UHFFFAOYSA-N
XLogP1.50
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 139453637) is 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine is CC1CC(C2NCCC=C2C2CCN=C(N)N2)C=CC1F.
What is the InChIKey of 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is VIVUKGPAKZPGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4/c1-10-9-11(4-5-13(10)17)15-12(3-2-7-19-15)14-6-8-20-16(18)21-14/h3-5,10-11,13-15,19H,2,6-9H2,1H3,(H3,18,20,21).
What are the key properties of 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine?
6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 292.40 g/mol, XLogP of 1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-fluoro-5-methylcyclohex-2-en-1-yl)-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 139453637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).