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

C20H26N6O — CID 53184237

IUPAC4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(C3=CC4=NCC(C)N4C=N3)CC2)cc1
InChIInChI=1S/C20H26N6O/c1-15-3-5-17(6-4-15)13-22-20(27)25-9-7-24(8-10-25)18-11-19-21-12-16(2)26(19)14-23-18/h3-6,11,14,16H,7-10,12-13H2,1-2H3,(H,22,27)
InChIKeyKTNAWZJUKRYXHT-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.81
Rot. Bonds3

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

4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 53184237) 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-[(4-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID53184237
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(C3=CC4=NCC(C)N4C=N3)CC2)cc1
InChIInChI=1S/C20H26N6O/c1-15-3-5-17(6-4-15)13-22-20(27)25-9-7-24(8-10-25)18-11-19-21-12-16(2)26(19)14-23-18/h3-6,11,14,16H,7-10,12-13H2,1-2H3,(H,22,27)
InChIKeyKTNAWZJUKRYXHT-UHFFFAOYSA-N
XLogP1.81
TPSA63.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(8R)-8-ethyl-4-methyl-2-phenyl-3a,7,8,9b-tetrahydro-1H-imidazo[2,1-f]purin-5-one
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CID 149784975
8-Benzyl-4-(cyclohexylamino)-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 135875882
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CID 44419888
1,9-Dibenzyl-6-propan-2-ylpurin-2-one
CID 44368666
1,9-Dibenzylpurin-2-one
CID 44368985
1-Benzyl-4-(butan-2-ylamino)-5-methylpyrimidin-2-one
CID 155515630
1-Benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2-one
CID 155538095
N-[(3-Fluorophenyl)methyl]-4-{3-methyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}piperazine-1-carboxamide
CID 53184244
4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(4-fluorobenzyl)tetrahydro-1(2H)-pyrazinecarboxamide
CID 53184332
"4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(3-fluorobenzyl)tetrahydro-1(2H)-pyrazinecarboxamide"
CID 87052650
N-[2-[[(7aR)-7aH-indol-5-yl]amino]-2-oxoethyl]-4-benzylpiperazine-1-carboxamide
CID 156016596

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide (CID 53184237) is 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide is Cc1ccc(CNC(=O)N2CCN(C3=CC4=NCC(C)N4C=N3)CC2)cc1.
What is the InChIKey of 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is KTNAWZJUKRYXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-15-3-5-17(6-4-15)13-22-20(27)25-9-7-24(8-10-25)18-11-19-21-12-16(2)26(19)14-23-18/h3-6,11,14,16H,7-10,12-13H2,1-2H3,(H,22,27).
What are the key properties of 4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 1.81, 3 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-[(4-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 53184237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).