N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C15H17F3N6 — CID 95331385

IUPACN-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ccc(N2CCC[C@H](Nc3nccc(C(F)(F)F)n3)C2)nn1
InChIInChI=1S/C15H17F3N6/c1-10-4-5-13(23-22-10)24-8-2-3-11(9-24)20-14-19-7-6-12(21-14)15(16,17)18/h4-7,11H,2-3,8-9H2,1H3,(H,19,20,21)/t11-/m0/s1
InChIKeyCYFDSVQRJUKSNW-NSHDSACASA-N
MW338.34 g/mol
LogP2.67
Rot. Bonds3

About N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 95331385) has the molecular formula C15H17F3N6 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID95331385
Molecular FormulaC15H17F3N6
Molecular Weight338.34 g/mol
Exact Mass338.15
IUPAC NameN-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1ccc(N2CCC[C@H](Nc3nccc(C(F)(F)F)n3)C2)nn1
InChIInChI=1S/C15H17F3N6/c1-10-4-5-13(23-22-10)24-8-2-3-11(9-24)20-14-19-7-6-12(21-14)15(16,17)18/h4-7,11H,2-3,8-9H2,1H3,(H,19,20,21)/t11-/m0/s1
InChIKeyCYFDSVQRJUKSNW-NSHDSACASA-N
XLogP2.67
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 154737129
N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171704970
N-(1-cyclopentylpyrrolidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133292243
2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 95868283
N-(1-pyridin-2-ylazetidin-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 146079533
N-[1-(3-chloro-4-fluorophenyl)pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 133438923
5-methyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56777998
N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146102398
4-morpholin-4-yl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]pyrimidin-2-amine
CID 171994408
N-[1-[(5-methyl-3-pyridinyl)methyl]piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 172881633
4-N,4-N-dimethyl-2-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881783
6-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 56777999

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 95331385) is N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1ccc(N2CCC[C@H](Nc3nccc(C(F)(F)F)n3)C2)nn1.
What is the InChIKey of N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is CYFDSVQRJUKSNW-NSHDSACASA-N. The full InChI is InChI=1S/C15H17F3N6/c1-10-4-5-13(23-22-10)24-8-2-3-11(9-24)20-14-19-7-6-12(21-14)15(16,17)18/h4-7,11H,2-3,8-9H2,1H3,(H,19,20,21)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 338.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 95331385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).