(3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine

C13H19F3N4O — CID 56869576

IUPAC(3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine
SMILESCO[C@H]1CN(c2nccc(CCC(F)(F)F)n2)CC[C@H]1N
InChIInChI=1S/C13H19F3N4O/c1-21-11-8-20(7-4-10(11)17)12-18-6-3-9(19-12)2-5-13(14,15)16/h3,6,10-11H,2,4-5,7-8,17H2,1H3/t10-,11+/m1/s1
InChIKeyNSRBZRFDPPSQCO-MNOVXSKESA-N
MW304.32 g/mol
LogP1.52
Rot. Bonds4

About (3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine

(3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine (PubChem CID 56869576) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is (3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine
PubChem CID56869576
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name(3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine
SMILESCO[C@H]1CN(c2nccc(CCC(F)(F)F)n2)CC[C@H]1N
InChIInChI=1S/C13H19F3N4O/c1-21-11-8-20(7-4-10(11)17)12-18-6-3-9(19-12)2-5-13(14,15)16/h3,6,10-11H,2,4-5,7-8,17H2,1H3/t10-,11+/m1/s1
InChIKeyNSRBZRFDPPSQCO-MNOVXSKESA-N
XLogP1.52
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine with MolForge

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Related Compounds

(3R)-N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 95548875
[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542321
2-[(3S)-3-phenylpiperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 95553696
1-(7-fluoroisoquinolin-1-yl)-3-methoxypiperidin-4-amine
CID 121415476
1-(4-propylpyrimidin-2-yl)piperidin-4-amine
CID 117224317
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56865012
4-hydroxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 56872070
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol
CID 156538124
(3R)-1-[4-(methoxymethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 176625763
2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol
CID 175554485
[2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542226
[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyrimidin-4-yl]methanamine
CID 107542111

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of (3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine (CID 56869576) is (3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for (3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine is CO[C@H]1CN(c2nccc(CCC(F)(F)F)n2)CC[C@H]1N.
What is the InChIKey of (3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is NSRBZRFDPPSQCO-MNOVXSKESA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-21-11-8-20(7-4-10(11)17)12-18-6-3-9(19-12)2-5-13(14,15)16/h3,6,10-11H,2,4-5,7-8,17H2,1H3/t10-,11+/m1/s1.
What are the key properties of (3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine?
(3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 304.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 56869576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).