4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-phenylethyl)piperazine-1-carboxamide

C20H26N6O — CID 53184238

IUPAC4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-phenylethyl)piperazine-1-carboxamide
SMILESCC1CN=C2C=C(N3CCN(C(=O)NCCc4ccccc4)CC3)N=CN21
InChIInChI=1S/C20H26N6O/c1-16-14-22-19-13-18(23-15-26(16)19)24-9-11-25(12-10-24)20(27)21-8-7-17-5-3-2-4-6-17/h2-6,13,15-16H,7-12,14H2,1H3,(H,21,27)
InChIKeyXMYUWXBTRBGJNU-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.54
Rot. Bonds4

About 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-phenylethyl)piperazine-1-carboxamide

4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 53184238) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID53184238
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-phenylethyl)piperazine-1-carboxamide
SMILESCC1CN=C2C=C(N3CCN(C(=O)NCCc4ccccc4)CC3)N=CN21
InChIInChI=1S/C20H26N6O/c1-16-14-22-19-13-18(23-15-26(16)19)24-9-11-25(12-10-24)20(27)21-8-7-17-5-3-2-4-6-17/h2-6,13,15-16H,7-12,14H2,1H3,(H,21,27)
InChIKeyXMYUWXBTRBGJNU-UHFFFAOYSA-N
XLogP1.54
TPSA63.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-phenylethyl)piperazine-1-carboxamide (CID 53184238) is 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-phenylethyl)piperazine-1-carboxamide is CC1CN=C2C=C(N3CCN(C(=O)NCCc4ccccc4)CC3)N=CN21.
What is the InChIKey of 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is XMYUWXBTRBGJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-16-14-22-19-13-18(23-15-26(16)19)24-9-11-25(12-10-24)20(27)21-8-7-17-5-3-2-4-6-17/h2-6,13,15-16H,7-12,14H2,1H3,(H,21,27).
What are the key properties of 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-phenylethyl)piperazine-1-carboxamide?
4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 53184238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).