3-cyclopropyl-2-[(2-hydroxyethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C14H19N3O2S — CID 39147039

IUPAC3-cyclopropyl-2-[(2-hydroxyethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(CNCCO)n(C3CC3)c(=O)c2c1C
InChIInChI=1S/C14H19N3O2S/c1-8-9(2)20-13-12(8)14(19)17(10-3-4-10)11(16-13)7-15-5-6-18/h10,15,18H,3-7H2,1-2H3
InChIKeyYPHRZVHBRYRFIM-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.49
Rot. Bonds5

About 3-cyclopropyl-2-[(2-hydroxyethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-cyclopropyl-2-[(2-hydroxyethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 39147039) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(2-hydroxyethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-2-[(2-hydroxyethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID39147039
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-cyclopropyl-2-[(2-hydroxyethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc(CNCCO)n(C3CC3)c(=O)c2c1C
InChIInChI=1S/C14H19N3O2S/c1-8-9(2)20-13-12(8)14(19)17(10-3-4-10)11(16-13)7-15-5-6-18/h10,15,18H,3-7H2,1-2H3
InChIKeyYPHRZVHBRYRFIM-UHFFFAOYSA-N
XLogP1.49
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-cyclopropyl-2-[(2-hydroxyethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one 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

3-cyclopropyl-2-[(5-hydroxypentylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 39148919
3-cyclopropyl-2-(propylaminomethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 39148539
2-[4-(2-benzyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide
CID 16672546
N-cyclopropyl-2-[4-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)piperidin-1-yl]acetamide
CID 46959387
3-cyclopropyl-7-methyl-2-[(propan-2-ylamino)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 82030762
11-cyclopropyl-10-[(prop-2-enylamino)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 39147192
2,5,6-trimethyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-one
CID 46959379
3-cyclopentyl-5,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 51140617
2-[(butan-2-ylamino)methyl]-3-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 82030749
2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethylpropanamide
CID 51209497
1-[(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]cyclopropane-1-carbonitrile
CID 71905568
6-amino-5-[2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]-1-cyclopropylpyrimidine-2,4-dione
CID 27278634

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(2-hydroxyethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-2-[(2-hydroxyethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 39147039) is 3-cyclopropyl-2-[(2-hydroxyethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-2-[(2-hydroxyethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-2-[(2-hydroxyethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is Cc1sc2nc(CNCCO)n(C3CC3)c(=O)c2c1C.
What is the InChIKey of 3-cyclopropyl-2-[(2-hydroxyethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is YPHRZVHBRYRFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-8-9(2)20-13-12(8)14(19)17(10-3-4-10)11(16-13)7-15-5-6-18/h10,15,18H,3-7H2,1-2H3.
What are the key properties of 3-cyclopropyl-2-[(2-hydroxyethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-cyclopropyl-2-[(2-hydroxyethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 293.39 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(2-hydroxyethylamino)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 39147039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).