4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole

C14H18N4S — CID 114741278

IUPAC4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole
SMILESCc1csc(Cc2nc3c(c(C(C)C)n2)CNC3)n1
InChIInChI=1S/C14H18N4S/c1-8(2)14-10-5-15-6-11(10)17-12(18-14)4-13-16-9(3)7-19-13/h7-8,15H,4-6H2,1-3H3
InChIKeyILRGLSQPTXTGFY-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.56
Rot. Bonds3

About 4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole

4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole (PubChem CID 114741278) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole
PubChem CID114741278
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole
SMILESCc1csc(Cc2nc3c(c(C(C)C)n2)CNC3)n1
InChIInChI=1S/C14H18N4S/c1-8(2)14-10-5-15-6-11(10)17-12(18-14)4-13-16-9(3)7-19-13/h7-8,15H,4-6H2,1-3H3
InChIKeyILRGLSQPTXTGFY-UHFFFAOYSA-N
XLogP2.56
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole with MolForge

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Related Compounds

4-methyl-2-[(4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole
CID 114741043
2-benzyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741385
2-(2-methylpropyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741386
4-propan-2-yl-2-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741391
ethane;2-methyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 176927423
5-iodo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300150
[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 55120817
2-butan-2-yl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741302
5-[1-(azetidin-3-yl)ethyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazole
CID 116682512
2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62795351
4-methyl-2-(2-methylpropyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740210
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62796362

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole (CID 114741278) is 4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole is Cc1csc(Cc2nc3c(c(C(C)C)n2)CNC3)n1.
What is the InChIKey of 4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole?
The InChIKey is ILRGLSQPTXTGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-8(2)14-10-5-15-6-11(10)17-12(18-14)4-13-16-9(3)7-19-13/h7-8,15H,4-6H2,1-3H3.
What are the key properties of 4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole?
4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole has a molecular weight of 274.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 114741278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).