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

C16H29FN4 — CID 163589836

IUPAC6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC1CC(C2NCCCC2C2CCN=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)
InChIKeyGOOSMMQJFDTDHF-UHFFFAOYSA-N
MW296.43 g/mol
LogP1.81
Rot. Bonds2

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

6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 163589836) has the molecular formula C16H29FN4 and a molecular weight of 296.43 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID163589836
Molecular FormulaC16H29FN4
Molecular Weight296.43 g/mol
Exact Mass296.24
IUPAC Name6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC1CC(C2NCCCC2C2CCN=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)
InChIKeyGOOSMMQJFDTDHF-UHFFFAOYSA-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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Related Compounds

2-Chloro-6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,4,5,6-tetrahydropyrimidine
CID 118448074
(6S)-6-[2-[(3S)-4-fluoro-3-methylcyclohexyl]piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 167216857
N-(3-fluoropropyl)-N'-methyl-4-(4-propan-2-ylcyclohexyl)piperazine-1-carboximidamide
CID 109562918
1-[1-(Cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111993708
1-[1-(Cyclohexylmethyl)piperidin-4-yl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111993709
1-[1-(Cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111993710
1-[1-(Cyclohexylmethyl)piperidin-4-yl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 111993711
1-Ethyl-2-[(1-methylpiperidin-3-yl)methyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 112097579
2-Methyl-1-[(1-methylpiperidin-3-yl)methyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 112097600
2-Methyl-1-[(1-methylpiperidin-3-yl)methyl]-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 112097601
1-Ethyl-2-[(1-methylpiperidin-3-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]guanidine
CID 112097637
2-Methyl-1-[(1-methylpiperidin-3-yl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 112097656

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 163589836) is 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine is CC1CC(C2NCCCC2C2CCN=C(N)N2)CCC1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is GOOSMMQJFDTDHF-UHFFFAOYSA-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).
What are the key properties of 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine?
6-[2-(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 6-[2-(4-fluoro-3-methylcyclohexyl)piperidin-3-yl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 163589836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).