4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C18H19F4N5 — CID 155974552

IUPAC4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(N3CCN(c4ncc(C(F)(F)F)cc4F)CC3)n1)CCC2
InChIInChI=1S/C18H19F4N5/c1-11-24-15-4-2-3-13(15)16(25-11)26-5-7-27(8-6-26)17-14(19)9-12(10-23-17)18(20,21)22/h9-10H,2-8H2,1H3
InChIKeyQOQZSMOSPUCHSL-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.15
Rot. Bonds2

About 4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 155974552) has the molecular formula C18H19F4N5 and a molecular weight of 381.38 g/mol. Its IUPAC name is 4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID155974552
Molecular FormulaC18H19F4N5
Molecular Weight381.38 g/mol
Exact Mass381.16
IUPAC Name4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nc2c(c(N3CCN(c4ncc(C(F)(F)F)cc4F)CC3)n1)CCC2
InChIInChI=1S/C18H19F4N5/c1-11-24-15-4-2-3-13(15)16(25-11)26-5-7-27(8-6-26)17-14(19)9-12(10-23-17)18(20,21)22/h9-10H,2-8H2,1H3
InChIKeyQOQZSMOSPUCHSL-UHFFFAOYSA-N
XLogP3.15
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 155974552) is 4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nc2c(c(N3CCN(c4ncc(C(F)(F)F)cc4F)CC3)n1)CCC2.
What is the InChIKey of 4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is QOQZSMOSPUCHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N5/c1-11-24-15-4-2-3-13(15)16(25-11)26-5-7-27(8-6-26)17-14(19)9-12(10-23-17)18(20,21)22/h9-10H,2-8H2,1H3.
What are the key properties of 4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 381.38 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 155974552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).