2-(3-phenylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine

C17H19F3N4 — CID 56873918

IUPAC2-(3-phenylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESFC(F)(F)CCc1ccnc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C17H19F3N4/c18-17(19,20)8-6-14-7-9-22-16(23-14)24-11-10-21-15(12-24)13-4-2-1-3-5-13/h1-5,7,9,15,21H,6,8,10-12H2
InChIKeyYUCSNNUMCVLXLT-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.12
Rot. Bonds4

About 2-(3-phenylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine

2-(3-phenylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 56873918) has the molecular formula C17H19F3N4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-(3-phenylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name2-(3-phenylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID56873918
Molecular FormulaC17H19F3N4
Molecular Weight336.36 g/mol
Exact Mass336.16
IUPAC Name2-(3-phenylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESFC(F)(F)CCc1ccnc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C17H19F3N4/c18-17(19,20)8-6-14-7-9-22-16(23-14)24-11-10-21-15(12-24)13-4-2-1-3-5-13/h1-5,7,9,15,21H,6,8,10-12H2
InChIKeyYUCSNNUMCVLXLT-UHFFFAOYSA-N
XLogP3.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Azd-3839
CID 46202416
SB-220025
CID 5164
Msx-122
CID 11687907
4-Phenylpyrimidine
CID 18923
PF-670462
CID 51049607
L-790070
CID 9806182
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
Ngd 94-1
CID 188942
VK-19911
CID 9797240

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 2-(3-phenylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine (CID 56873918) is 2-(3-phenylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 2-(3-phenylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 2-(3-phenylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine is FC(F)(F)CCc1ccnc(N2CCNC(c3ccccc3)C2)n1.
What is the InChIKey of 2-(3-phenylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is YUCSNNUMCVLXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4/c18-17(19,20)8-6-14-7-9-22-16(23-14)24-11-10-21-15(12-24)13-4-2-1-3-5-13/h1-5,7,9,15,21H,6,8,10-12H2.
What are the key properties of 2-(3-phenylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine?
2-(3-phenylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 336.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 56873918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).