3-(3-methoxyphenyl)-1-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]propan-1-one

C21H27N5O2 — CID 53184222

IUPAC3-(3-methoxyphenyl)-1-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCN(C3=CC4=NCC(C)N4C=N3)CC2)c1
InChIInChI=1S/C21H27N5O2/c1-16-14-22-20-13-19(23-15-26(16)20)24-8-10-25(11-9-24)21(27)7-6-17-4-3-5-18(12-17)28-2/h3-5,12-13,15-16H,6-11,14H2,1-2H3
InChIKeyYXKROPHEARWXNY-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.76
Rot. Bonds5

About 3-(3-methoxyphenyl)-1-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]propan-1-one

3-(3-methoxyphenyl)-1-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]propan-1-one (PubChem CID 53184222) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
PubChem CID53184222
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name3-(3-methoxyphenyl)-1-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCN(C3=CC4=NCC(C)N4C=N3)CC2)c1
InChIInChI=1S/C21H27N5O2/c1-16-14-22-20-13-19(23-15-26(16)20)24-8-10-25(11-9-24)21(27)7-6-17-4-3-5-18(12-17)28-2/h3-5,12-13,15-16H,6-11,14H2,1-2H3
InChIKeyYXKROPHEARWXNY-UHFFFAOYSA-N
XLogP1.76
TPSA60.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]propan-1-one (CID 53184222) is 3-(3-methoxyphenyl)-1-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]propan-1-one is COc1cccc(CCC(=O)N2CCN(C3=CC4=NCC(C)N4C=N3)CC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]propan-1-one?
The InChIKey is YXKROPHEARWXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16-14-22-20-13-19(23-15-26(16)20)24-8-10-25(11-9-24)21(27)7-6-17-4-3-5-18(12-17)28-2/h3-5,12-13,15-16H,6-11,14H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]propan-1-one?
3-(3-methoxyphenyl)-1-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]propan-1-one has a molecular weight of 381.48 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 53184222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).