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

C16H25FN4 — CID 139453698

IUPAC(6S)-6-[6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC[C@H]1CC(C2NCCC=C2[C@@H]2CCN=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)/t10-,11?,13?,14-,15?/m0/s1
InChIKeyVIVUKGPAKZPGHX-KMTWBRQNSA-N
MW292.40 g/mol
LogP1.50
Rot. Bonds2

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

(6S)-6-[6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 139453698) has the molecular formula C16H25FN4 and a molecular weight of 292.40 g/mol. Its IUPAC name is (6S)-6-[6-[(5S)-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 Name(6S)-6-[6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID139453698
Molecular FormulaC16H25FN4
Molecular Weight292.40 g/mol
Exact Mass292.21
IUPAC Name(6S)-6-[6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC[C@H]1CC(C2NCCC=C2[C@@H]2CCN=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)/t10-,11?,13?,14-,15?/m0/s1
InChIKeyVIVUKGPAKZPGHX-KMTWBRQNSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[6-[(5S)-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 (6S)-6-[6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 139453698) is (6S)-6-[6-[(5S)-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 (6S)-6-[6-[(5S)-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 (6S)-6-[6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine is C[C@H]1CC(C2NCCC=C2[C@@H]2CCN=C(N)N2)C=CC1F.
What is the InChIKey of (6S)-6-[6-[(5S)-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-KMTWBRQNSA-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)/t10-,11?,13?,14-,15?/m0/s1.
What are the key properties of (6S)-6-[6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-1,2,3,6-tetrahydropyridin-5-yl]-1,4,5,6-tetrahydropyrimidin-2-amine?
(6S)-6-[6-[(5S)-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 (6S)-6-[6-[(5S)-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 139453698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).