4-cyclopropyl-5-methyl-2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrimidine

C19H21F3N4O — CID 145096210

IUPAC4-cyclopropyl-5-methyl-2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrimidine
SMILESCc1cnc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)nc1C1CC1
InChIInChI=1S/C19H21F3N4O/c1-13-12-23-18(24-17(13)14-2-3-14)26-10-8-25(9-11-26)15-4-6-16(7-5-15)27-19(20,21)22/h4-7,12,14H,2-3,8-11H2,1H3
InChIKeyGGGJIQLACSXCGH-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.89
Rot. Bonds4

About 4-cyclopropyl-5-methyl-2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrimidine

4-cyclopropyl-5-methyl-2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrimidine (PubChem CID 145096210) has the molecular formula C19H21F3N4O and a molecular weight of 378.40 g/mol. Its IUPAC name is 4-cyclopropyl-5-methyl-2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-5-methyl-2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrimidine
PubChem CID145096210
Molecular FormulaC19H21F3N4O
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name4-cyclopropyl-5-methyl-2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrimidine
SMILESCc1cnc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)nc1C1CC1
InChIInChI=1S/C19H21F3N4O/c1-13-12-23-18(24-17(13)14-2-3-14)26-10-8-25(9-11-26)15-4-6-16(7-5-15)27-19(20,21)22/h4-7,12,14H,2-3,8-11H2,1H3
InChIKeyGGGJIQLACSXCGH-UHFFFAOYSA-N
XLogP3.89
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-4-(trifluoromethyl)pyrimidine-5-carbaldehyde
CID 121404786
2-[1-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]piperidin-4-yl]ethanamine
CID 175844568
5-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-3-one
CID 66504431
4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol
CID 70874455
2-[6-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-pyridinyl]acetaldehyde
CID 121404733
2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 3537747
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine
CID 175691853
1-[2-methylidene-1-(4-methylphenyl)pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]piperazine
CID 155274276
5-methyl-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine
CID 133405359
N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide
CID 60583825
1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 71226421

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-methyl-2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-cyclopropyl-5-methyl-2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrimidine (CID 145096210) is 4-cyclopropyl-5-methyl-2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-5-methyl-2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-5-methyl-2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrimidine is Cc1cnc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-methyl-2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrimidine?
The InChIKey is GGGJIQLACSXCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O/c1-13-12-23-18(24-17(13)14-2-3-14)26-10-8-25(9-11-26)15-4-6-16(7-5-15)27-19(20,21)22/h4-7,12,14H,2-3,8-11H2,1H3.
What are the key properties of 4-cyclopropyl-5-methyl-2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrimidine?
4-cyclopropyl-5-methyl-2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrimidine has a molecular weight of 378.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-methyl-2-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 145096210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).