2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine

C15H17F3N6 — CID 95868283

IUPAC2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine
SMILESNc1ccnc(N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)n1
InChIInChI=1S/C15H17F3N6/c16-15(17,18)10-3-4-13(21-8-10)24-7-1-2-11(9-24)22-14-20-6-5-12(19)23-14/h3-6,8,11H,1-2,7,9H2,(H3,19,20,22,23)/t11-/m0/s1
InChIKeyFTILVZSYNRNCDN-NSHDSACASA-N
MW338.34 g/mol
LogP2.55
Rot. Bonds3

About 2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine

2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine (PubChem CID 95868283) has the molecular formula C15H17F3N6 and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine
PubChem CID95868283
Molecular FormulaC15H17F3N6
Molecular Weight338.34 g/mol
Exact Mass338.15
IUPAC Name2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine
SMILESNc1ccnc(N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)n1
InChIInChI=1S/C15H17F3N6/c16-15(17,18)10-3-4-13(21-8-10)24-7-1-2-11(9-24)22-14-20-6-5-12(19)23-14/h3-6,8,11H,1-2,7,9H2,(H3,19,20,22,23)/t11-/m0/s1
InChIKeyFTILVZSYNRNCDN-NSHDSACASA-N
XLogP2.55
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidin-4-amine
CID 172902099
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea
CID 95714073
N-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95331385
2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine
CID 63761657
1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one
CID 95590464
2-methylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyridine-3-carboxamide
CID 26323220
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
CID 45196359
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine
CID 75917771

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine (CID 95868283) is 2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine is Nc1ccnc(N[C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)n1.
What is the InChIKey of 2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine?
The InChIKey is FTILVZSYNRNCDN-NSHDSACASA-N. The full InChI is InChI=1S/C15H17F3N6/c16-15(17,18)10-3-4-13(21-8-10)24-7-1-2-11(9-24)22-14-20-6-5-12(19)23-14/h3-6,8,11H,1-2,7,9H2,(H3,19,20,22,23)/t11-/m0/s1.
What are the key properties of 2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine?
2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine has a molecular weight of 338.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 95868283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).