(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone

C16H20N4OS — CID 56750537

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
SMILESCc1nc(C)c(C(=O)N2Cc3cnc(CC(C)C)nc3C2)s1
InChIInChI=1S/C16H20N4OS/c1-9(2)5-14-17-6-12-7-20(8-13(12)19-14)16(21)15-10(3)18-11(4)22-15/h6,9H,5,7-8H2,1-4H3
InChIKeyAQSVYXMGQJTCKW-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.90
Rot. Bonds3

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

(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone (PubChem CID 56750537) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
PubChem CID56750537
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
SMILESCc1nc(C)c(C(=O)N2Cc3cnc(CC(C)C)nc3C2)s1
InChIInChI=1S/C16H20N4OS/c1-9(2)5-14-17-6-12-7-20(8-13(12)19-14)16(21)15-10(3)18-11(4)22-15/h6,9H,5,7-8H2,1-4H3
InChIKeyAQSVYXMGQJTCKW-UHFFFAOYSA-N
XLogP2.90
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 56802180
2-ethyl-6-{[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]carbonyl}-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56739295
N-[[(2S,4S)-4-fluoro-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 128974876
2-tert-butyl-6-[(2-propyl-1,3-thiazol-4-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56741718
2-tert-butyl-6-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56743995
N-{5-[(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]-1,3-thiazol-2-yl}acetamide
CID 56749860
2-isobutyl-6-{[(4-methyl-1,3-thiazol-2-yl)thio]acetyl}-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56754964
2-Isopropyl-N,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-YL)ethyl]pyrimidine-5-carboxamide
CID 56869292
(2,4-dimethylthiazol-5-yl)(4-(2-methyl-6-(1H-pyrrol-1-yl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 71800047
(2,4-dimethylthiazol-5-yl)(2-morpholino-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)methanone
CID 86264614
2-(3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyrimidin-4-ylmethyl)thiazole-5-carboxamide
CID 57919783
N,N,4-trimethyl-2-pyrimidin-5-yl-1,3-thiazole-5-carboxamide
CID 58236280

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone (CID 56750537) is (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone is Cc1nc(C)c(C(=O)N2Cc3cnc(CC(C)C)nc3C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
The InChIKey is AQSVYXMGQJTCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-9(2)5-14-17-6-12-7-20(8-13(12)19-14)16(21)15-10(3)18-11(4)22-15/h6,9H,5,7-8H2,1-4H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone has a molecular weight of 316.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 56750537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).