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

C19H24N6OS — CID 53184269

IUPAC4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
SMILESCSc1cccc(NC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1
InChIInChI=1S/C19H24N6OS/c1-14-12-25-13-20-17(11-18(25)21-14)23-6-8-24(9-7-23)19(26)22-15-4-3-5-16(10-15)27-2/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,22,26)
InChIKeyMLGNVYKYRLOJKX-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.54
Rot. Bonds3

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

4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide (PubChem CID 53184269) has the molecular formula C19H24N6OS and a molecular weight of 384.51 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
PubChem CID53184269
Molecular FormulaC19H24N6OS
Molecular Weight384.51 g/mol
Exact Mass384.17
IUPAC Name4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
SMILESCSc1cccc(NC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1
InChIInChI=1S/C19H24N6OS/c1-14-12-25-13-20-17(11-18(25)21-14)23-6-8-24(9-7-23)19(26)22-15-4-3-5-16(10-15)27-2/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,22,26)
InChIKeyMLGNVYKYRLOJKX-UHFFFAOYSA-N
XLogP2.54
TPSA63.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-4-[(2S)-2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide
CID 95106434
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide
CID 53184272
N-(2-methoxyphenyl)-4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide
CID 53184257
N-(3-methylsulfanylphenyl)-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23139938
1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318366
(3R)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121226
(3S)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125642
4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide
CID 53047696
4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 53184324
N-(3-ethylphenyl)-4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide
CID 53184245
N-(3-ethylphenyl)-4-[(3S)-3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl]piperazine-1-carboxamide
CID 95106413
N-(2,4-difluorophenyl)-4-(2-ethyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazine-1-carboxamide
CID 53184330

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide (CID 53184269) is 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide is CSc1cccc(NC(=O)N2CCN(C3=CC4=NC(C)CN4C=N3)CC2)c1.
What is the InChIKey of 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide?
The InChIKey is MLGNVYKYRLOJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS/c1-14-12-25-13-20-17(11-18(25)21-14)23-6-8-24(9-7-23)19(26)22-15-4-3-5-16(10-15)27-2/h3-5,10-11,13-14H,6-9,12H2,1-2H3,(H,22,26).
What are the key properties of 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide?
4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 53184269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).