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

C14H18N4S — CID 114741043

IUPAC4-methyl-2-[(4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole
SMILESCCCc1nc(Cc2nc(C)cs2)nc2c1CNC2
InChIInChI=1S/C14H18N4S/c1-3-4-11-10-6-15-7-12(10)18-13(17-11)5-14-16-9(2)8-19-14/h8,15H,3-7H2,1-2H3
InChIKeyWPNGKVKOQRBOLJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.39
Rot. Bonds4

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

4-methyl-2-[(4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole (PubChem CID 114741043) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-methyl-2-[(4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole
PubChem CID114741043
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name4-methyl-2-[(4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole
SMILESCCCc1nc(Cc2nc(C)cs2)nc2c1CNC2
InChIInChI=1S/C14H18N4S/c1-3-4-11-10-6-15-7-12(10)18-13(17-11)5-14-16-9(2)8-19-14/h8,15H,3-7H2,1-2H3
InChIKeyWPNGKVKOQRBOLJ-UHFFFAOYSA-N
XLogP2.39
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[(4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole
CID 114741278
5-bromo-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propylpyrimidin-4-amine
CID 66307752
2-(propoxymethyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741014
2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62795351
6-ethyl-5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 63560948
2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742724
[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 55120817
4-ethyl-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3,5-triazin-2-amine
CID 63868028
4-propyl-2-(2H-triazol-4-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741051
5-bromo-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106479262
N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65269268
2-[(3-fluorophenyl)methyl]-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742588

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole (CID 114741043) is 4-methyl-2-[(4-propyl-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-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole is CCCc1nc(Cc2nc(C)cs2)nc2c1CNC2.
What is the InChIKey of 4-methyl-2-[(4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole?
The InChIKey is WPNGKVKOQRBOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-3-4-11-10-6-15-7-12(10)18-13(17-11)5-14-16-9(2)8-19-14/h8,15H,3-7H2,1-2H3.
What are the key properties of 4-methyl-2-[(4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole?
4-methyl-2-[(4-propyl-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 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 114741043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).