(6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine

C16H29FN4 — CID 167216857

IUPAC(6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC[C@H]1CC(C2NCCCC2[C@@H]2CCN=C(N)N2)CCC1F
InChIInChI=1S/C16H29FN4/c1-10-9-11(4-5-13(10)17)15-12(3-2-7-19-15)14-6-8-20-16(18)21-14/h10-15,19H,2-9H2,1H3,(H3,18,20,21)/t10-,11?,12?,13?,14-,15?/m0/s1
InChIKeyGOOSMMQJFDTDHF-WGLJQIFGSA-N
MW296.43 g/mol
LogP1.81
Rot. Bonds2

About (6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine

(6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 167216857) has the molecular formula C16H29FN4 and a molecular weight of 296.43 g/mol. Its IUPAC name is (6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name(6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID167216857
Molecular FormulaC16H29FN4
Molecular Weight296.43 g/mol
Exact Mass296.24
IUPAC Name(6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESC[C@H]1CC(C2NCCCC2[C@@H]2CCN=C(N)N2)CCC1F
InChIInChI=1S/C16H29FN4/c1-10-9-11(4-5-13(10)17)15-12(3-2-7-19-15)14-6-8-20-16(18)21-14/h10-15,19H,2-9H2,1H3,(H3,18,20,21)/t10-,11?,12?,13?,14-,15?/m0/s1
InChIKeyGOOSMMQJFDTDHF-WGLJQIFGSA-N
XLogP1.81
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of (6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 167216857) is (6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for (6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for (6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine is C[C@H]1CC(C2NCCCC2[C@@H]2CCN=C(N)N2)CCC1F.
What is the InChIKey of (6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is GOOSMMQJFDTDHF-WGLJQIFGSA-N. The full InChI is InChI=1S/C16H29FN4/c1-10-9-11(4-5-13(10)17)15-12(3-2-7-19-15)14-6-8-20-16(18)21-14/h10-15,19H,2-9H2,1H3,(H3,18,20,21)/t10-,11?,12?,13?,14-,15?/m0/s1.
What are the key properties of (6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine?
(6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 296.43 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 167216857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).