2-amino-3-methyl-5-(2-methylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C19H17N5OS — CID 56678999

IUPAC2-amino-3-methyl-5-(2-methylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCc1sccc1C1(c2cccc(-c3cncnc3)c2)N=C(N)N(C)C1=O
InChIInChI=1S/C19H17N5OS/c1-12-16(6-7-26-12)19(17(25)24(2)18(20)23-19)15-5-3-4-13(8-15)14-9-21-11-22-10-14/h3-11H,1-2H3,(H2,20,23)
InChIKeyAWSZXXRYNSNVQU-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.54
Rot. Bonds3

About 2-amino-3-methyl-5-(2-methylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

2-amino-3-methyl-5-(2-methylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 56678999) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-amino-3-methyl-5-(2-methylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-5-(2-methylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID56678999
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name2-amino-3-methyl-5-(2-methylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCc1sccc1C1(c2cccc(-c3cncnc3)c2)N=C(N)N(C)C1=O
InChIInChI=1S/C19H17N5OS/c1-12-16(6-7-26-12)19(17(25)24(2)18(20)23-19)15-5-3-4-13(8-15)14-9-21-11-22-10-14/h3-11H,1-2H3,(H2,20,23)
InChIKeyAWSZXXRYNSNVQU-UHFFFAOYSA-N
XLogP2.54
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

MK-8931
CID 23627211
2-{(2e,4ar,7ar)-7a-[4-(3-Cyanophenyl)thiophen-2-Yl]-2-Imino-3-Methyl-4-Oxooctahydro-6h-Pyrrolo[3,4-D]pyrimidin-6-Yl}pyridine-3-Carbonitrile
CID 66557875
3-{5-[(2e,4ar,7ar)-6-(5-Fluoropyrimidin-2-Yl)-2-Imino-3-Methyl-4-Oxooctahydro-7ah-Pyrrolo[3,4-D]pyrimidin-7a-Yl]thiophen-3-Yl}benzonitrile
CID 71457203
3-[5-[(4aR,7aR)-2-amino-3-methyl-4-oxo-6-pyrimidin-2-yl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]benzonitrile
CID 71460877
(4aR,7aR)-2-amino-7a-[4-(3-chlorophenyl)thiophen-2-yl]-6-(5-fluoropyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one
CID 145979438
3-[5-[(4aR,7aR)-2-amino-6-(4-ethyl-5-fluoropyrimidin-2-yl)-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]benzonitrile
CID 145981185
3-[5-[(4aR,7aR)-2-amino-6-(5-fluoro-4-methylpyrimidin-2-yl)-3-methyl-4-oxo-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl]benzonitrile
CID 145987073
2-Amino-3-methyl-5-(3-pyridin-3-ylphenyl)-5-thiophen-3-ylimidazol-4-one
CID 15949919
2-amino-1-methyl-4-(pyridin-4-yl)-4-(3-(thiophen-3-yl)phenyl)-1H-imidazol-5(4H)-one
CID 15950518
2-Benzylsulfanyl-5-pyrimidin-5-ylmethyl-1-thiophen-2-ylmethyl-1H-pyrimidin-4-one
CID 17899991
2-Amino-5-(2-chloro-5-methylthiophen-3-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 56658437
2-Amino-3-methyl-5-(5-propanoylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 56672298

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5-(2-methylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-3-methyl-5-(2-methylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 56678999) is 2-amino-3-methyl-5-(2-methylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-methyl-5-(2-methylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-methyl-5-(2-methylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is Cc1sccc1C1(c2cccc(-c3cncnc3)c2)N=C(N)N(C)C1=O.
What is the InChIKey of 2-amino-3-methyl-5-(2-methylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is AWSZXXRYNSNVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-12-16(6-7-26-12)19(17(25)24(2)18(20)23-19)15-5-3-4-13(8-15)14-9-21-11-22-10-14/h3-11H,1-2H3,(H2,20,23).
What are the key properties of 2-amino-3-methyl-5-(2-methylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-3-methyl-5-(2-methylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 363.45 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 2-amino-3-methyl-5-(2-methylthiophen-3-yl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 56678999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).