N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C10H13F3N4 — CID 168827322

IUPACN-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(N[C@@H]2CCCNC2)nc1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)7-4-15-9(16-5-7)17-8-2-1-3-14-6-8/h4-5,8,14H,1-3,6H2,(H,15,16,17)/t8-/m1/s1
InChIKeyZJZWCDOBFHVFPK-MRVPVSSYSA-N
MW246.24 g/mol
LogP1.66
Rot. Bonds2

About N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 168827322) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID168827322
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC NameN-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(N[C@@H]2CCCNC2)nc1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)7-4-15-9(16-5-7)17-8-2-1-3-14-6-8/h4-5,8,14H,1-3,6H2,(H,15,16,17)/t8-/m1/s1
InChIKeyZJZWCDOBFHVFPK-MRVPVSSYSA-N
XLogP1.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 125498682
5-tert-butyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974701
5-cyclohexyl-N-piperidin-3-ylpyrimidin-2-amine
CID 116974757
N-piperidin-3-yl-5-pyridin-4-ylpyrimidin-2-amine
CID 116974754
N-[(3S)-piperidin-3-yl]-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 171102501
N-(5-methoxypyrimidin-2-yl)azepan-3-amine
CID 114600932
5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 63872650
N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine
CID 63319382
4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 175858875
2-hydroxy-1-[3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
CID 141418153
4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 170710859
N-piperidin-3-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 114280857

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 168827322) is N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cnc(N[C@@H]2CCCNC2)nc1.
What is the InChIKey of N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is ZJZWCDOBFHVFPK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)7-4-15-9(16-5-7)17-8-2-1-3-14-6-8/h4-5,8,14H,1-3,6H2,(H,15,16,17)/t8-/m1/s1.
What are the key properties of N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 246.24 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 168827322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).