(2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine

C15H25F3N6 — CID 158105761

IUPAC(2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESC[C@H]1CN(c2nccc(C(F)(F)F)n2)CCN1.C[C@H]1CNCCN1
InChIInChI=1S/C10H13F3N4.C5H12N2/c1-7-6-17(5-4-14-7)9-15-3-2-8(16-9)10(11,12)13;1-5-4-6-2-3-7-5/h2-3,7,14H,4-6H2,1H3;5-7H,2-4H2,1H3/t7-;5-/m00/s1
InChIKeyFPUPESLKITUODZ-SJEAMFKXSA-N
MW346.40 g/mol
LogP0.86
Rot. Bonds1

About (2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine

(2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 158105761) has the molecular formula C15H25F3N6 and a molecular weight of 346.40 g/mol. Its IUPAC name is (2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name(2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID158105761
Molecular FormulaC15H25F3N6
Molecular Weight346.40 g/mol
Exact Mass346.21
IUPAC Name(2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESC[C@H]1CN(c2nccc(C(F)(F)F)n2)CCN1.C[C@H]1CNCCN1
InChIInChI=1S/C10H13F3N4.C5H12N2/c1-7-6-17(5-4-14-7)9-15-3-2-8(16-9)10(11,12)13;1-5-4-6-2-3-7-5/h2-3,7,14H,4-6H2,1H3;5-7H,2-4H2,1H3/t7-;5-/m00/s1
InChIKeyFPUPESLKITUODZ-SJEAMFKXSA-N
XLogP0.86
TPSA65.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of (2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 158105761) is (2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for (2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for (2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine is C[C@H]1CN(c2nccc(C(F)(F)F)n2)CCN1.C[C@H]1CNCCN1.
What is the InChIKey of (2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is FPUPESLKITUODZ-SJEAMFKXSA-N. The full InChI is InChI=1S/C10H13F3N4.C5H12N2/c1-7-6-17(5-4-14-7)9-15-3-2-8(16-9)10(11,12)13;1-5-4-6-2-3-7-5/h2-3,7,14H,4-6H2,1H3;5-7H,2-4H2,1H3/t7-;5-/m00/s1.
What are the key properties of (2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine?
(2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 346.40 g/mol, XLogP of 0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylpiperazine;2-[(3S)-3-methylpiperazin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 158105761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).