4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide

C21H28N6O2 — CID 91653900

IUPAC4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
SMILESCCC1CN2C=NC(N3CCN(C(=O)Nc4cc(C)ccc4OC)CC3)=CC2=N1
InChIInChI=1S/C21H28N6O2/c1-4-16-13-27-14-22-19(12-20(27)23-16)25-7-9-26(10-8-25)21(28)24-17-11-15(2)5-6-18(17)29-3/h5-6,11-12,14,16H,4,7-10,13H2,1-3H3,(H,24,28)
InChIKeyPESZDBBVEKQARW-UHFFFAOYSA-N
MW396.50 g/mol
LogP2.53
Rot. Bonds4

About 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide

4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide (PubChem CID 91653900) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
PubChem CID91653900
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
SMILESCCC1CN2C=NC(N3CCN(C(=O)Nc4cc(C)ccc4OC)CC3)=CC2=N1
InChIInChI=1S/C21H28N6O2/c1-4-16-13-27-14-22-19(12-20(27)23-16)25-7-9-26(10-8-25)21(28)24-17-11-15(2)5-6-18(17)29-3/h5-6,11-12,14,16H,4,7-10,13H2,1-3H3,(H,24,28)
InChIKeyPESZDBBVEKQARW-UHFFFAOYSA-N
XLogP2.53
TPSA72.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide (CID 91653900) is 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide is CCC1CN2C=NC(N3CCN(C(=O)Nc4cc(C)ccc4OC)CC3)=CC2=N1.
What is the InChIKey of 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
The InChIKey is PESZDBBVEKQARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-4-16-13-27-14-22-19(12-20(27)23-16)25-7-9-26(10-8-25)21(28)24-17-11-15(2)5-6-18(17)29-3/h5-6,11-12,14,16H,4,7-10,13H2,1-3H3,(H,24,28).
What are the key properties of 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide?
4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 91653900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).