4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine

C17H26F3N5 — CID 133431434

IUPAC4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
SMILESCC1CCCN(c2cc(N3CCN(CC(F)(F)F)C(C)C3)ncn2)C1
InChIInChI=1S/C17H26F3N5/c1-13-4-3-5-23(9-13)15-8-16(22-12-21-15)24-6-7-25(14(2)10-24)11-17(18,19)20/h8,12-14H,3-7,9-11H2,1-2H3
InChIKeyWOWIAIIHQASYPM-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.79
Rot. Bonds3

About 4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine

4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine (PubChem CID 133431434) has the molecular formula C17H26F3N5 and a molecular weight of 357.42 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
PubChem CID133431434
Molecular FormulaC17H26F3N5
Molecular Weight357.42 g/mol
Exact Mass357.21
IUPAC Name4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
SMILESCC1CCCN(c2cc(N3CCN(CC(F)(F)F)C(C)C3)ncn2)C1
InChIInChI=1S/C17H26F3N5/c1-13-4-3-5-23(9-13)15-8-16(22-12-21-15)24-6-7-25(14(2)10-24)11-17(18,19)20/h8,12-14H,3-7,9-11H2,1-2H3
InChIKeyWOWIAIIHQASYPM-UHFFFAOYSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
CID 133431510
2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine
CID 133431598
(2R)-2-methyl-4-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 129374202
4-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449865
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine
CID 112863132
4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine
CID 124832471
(8aR)-2-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129429947
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112863983
N-butyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112855144
1-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 133422017
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
tert-butyl N-[2-[[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]amino]ethyl]carbamate
CID 133299291

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine (CID 133431434) is 4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine is CC1CCCN(c2cc(N3CCN(CC(F)(F)F)C(C)C3)ncn2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
The InChIKey is WOWIAIIHQASYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N5/c1-13-4-3-5-23(9-13)15-8-16(22-12-21-15)24-6-7-25(14(2)10-24)11-17(18,19)20/h8,12-14H,3-7,9-11H2,1-2H3.
What are the key properties of 4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine?
4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine has a molecular weight of 357.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 133431434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).