2,3-dimethyl-6-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C19H18N4O2S — CID 131941528

IUPAC2,3-dimethyl-6-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)Cc1csc(-c3ccccc3)n1)C2
InChIInChI=1S/C19H18N4O2S/c1-12-20-16-10-23(9-15(16)19(25)22(12)2)17(24)8-14-11-26-18(21-14)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3
InChIKeyRXCYWACKQKSVMA-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.30
Rot. Bonds3

About 2,3-dimethyl-6-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

2,3-dimethyl-6-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 131941528) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2,3-dimethyl-6-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID131941528
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2,3-dimethyl-6-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)Cc1csc(-c3ccccc3)n1)C2
InChIInChI=1S/C19H18N4O2S/c1-12-20-16-10-23(9-15(16)19(25)22(12)2)17(24)8-14-11-26-18(21-14)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3
InChIKeyRXCYWACKQKSVMA-UHFFFAOYSA-N
XLogP2.30
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 169415750
3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110617904
2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
CID 39286705
tert-butyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate
CID 31121816
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27041100
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 131934429
1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27757217
(3S)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 29136377
(3R)-3-methyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 99815343
2-methyl-1-[4-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 55564528
1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 39081188
N,N-dimethyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 78779340

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 131941528) is 2,3-dimethyl-6-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(C(=O)Cc1csc(-c3ccccc3)n1)C2.
What is the InChIKey of 2,3-dimethyl-6-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is RXCYWACKQKSVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-12-20-16-10-23(9-15(16)19(25)22(12)2)17(24)8-14-11-26-18(21-14)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
2,3-dimethyl-6-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 366.45 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 131941528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).