2-(4-fluorophenyl)-7-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidine

C18H20FN5 — CID 1481913

IUPAC2-(4-fluorophenyl)-7-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidine
SMILESCc1cc(N2CCN(C)CC2)n2cc(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C18H20FN5/c1-13-11-17(23-9-7-22(2)8-10-23)24-12-16(21-18(24)20-13)14-3-5-15(19)6-4-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyWLOKPZHYRJKOHX-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.60
Rot. Bonds2

About 2-(4-fluorophenyl)-7-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidine

2-(4-fluorophenyl)-7-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidine (PubChem CID 1481913) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidine
PubChem CID1481913
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC Name2-(4-fluorophenyl)-7-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidine
SMILESCc1cc(N2CCN(C)CC2)n2cc(-c3ccc(F)cc3)nc2n1
InChIInChI=1S/C18H20FN5/c1-13-11-17(23-9-7-22(2)8-10-23)24-12-16(21-18(24)20-13)14-3-5-15(19)6-4-14/h3-6,11-12H,7-10H2,1-2H3
InChIKeyWLOKPZHYRJKOHX-UHFFFAOYSA-N
XLogP2.60
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Abemaciclib
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Glu-P 1
CID 49971
Adipiplon
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Dipraglurant
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Miransertib
CID 53262401
SB-220025
CID 5164
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
PF-4708671
CID 51371303
PF-670462
CID 51049607
L-790070
CID 9806182

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-7-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidine (CID 1481913) is 2-(4-fluorophenyl)-7-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-7-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-7-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidine is Cc1cc(N2CCN(C)CC2)n2cc(-c3ccc(F)cc3)nc2n1.
What is the InChIKey of 2-(4-fluorophenyl)-7-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidine?
The InChIKey is WLOKPZHYRJKOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5/c1-13-11-17(23-9-7-22(2)8-10-23)24-12-16(21-18(24)20-13)14-3-5-15(19)6-4-14/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-7-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidine?
2-(4-fluorophenyl)-7-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidine has a molecular weight of 325.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-methyl-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 1481913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).