2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide

C17H20N4O3S — CID 39480750

IUPAC2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide
SMILESCc1nc(C2CC2)nc2sc(C(=O)NNC(=O)[C@@H]3CCCO3)c(C)c12
InChIInChI=1S/C17H20N4O3S/c1-8-12-9(2)18-14(10-5-6-10)19-17(12)25-13(8)16(23)21-20-15(22)11-4-3-7-24-11/h10-11H,3-7H2,1-2H3,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeyFUSCVNFCWBUMJG-NSHDSACASA-N
MW360.44 g/mol
LogP2.13
Rot. Bonds3

About 2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide

2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide (PubChem CID 39480750) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide.

Molecular Properties

Compound Name2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide
PubChem CID39480750
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide
SMILESCc1nc(C2CC2)nc2sc(C(=O)NNC(=O)[C@@H]3CCCO3)c(C)c12
InChIInChI=1S/C17H20N4O3S/c1-8-12-9(2)18-14(10-5-6-10)19-17(12)25-13(8)16(23)21-20-15(22)11-4-3-7-24-11/h10-11H,3-7H2,1-2H3,(H,20,22)(H,21,23)/t11-/m0/s1
InChIKeyFUSCVNFCWBUMJG-NSHDSACASA-N
XLogP2.13
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide with MolForge

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Launch Full Analysis

Related Compounds

2-cyclopropyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 35256649
N-butan-2-yl-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539061
2-cyclopropyl-4,5-dimethyl-N'-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 24672221
2-cyclopropyl-N'-(1H-indole-3-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 24666705
2-cyclopropyl-N-(6-methoxy-3-pyridinyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539036
2-cyclopropyl-N'-[3-methoxy-4-(3-methylbutoxy)benzoyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 30706839
2-cyclopropyl-N'-(3-ethyl-4-oxophthalazine-1-carbonyl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 32652838
2-cyclopropyl-4,5-dimethyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46635047
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 55879045
2-ethyl-4,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 35252949
N-(3-chloro-4-methylphenyl)-2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 46539056
2-cyclopropyl-4,5-dimethyl-N-[(3-methylphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 33283292

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide?
The IUPAC name of 2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide (CID 39480750) is 2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide.
What is the SMILES notation for 2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide?
The canonical SMILES for 2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide is Cc1nc(C2CC2)nc2sc(C(=O)NNC(=O)[C@@H]3CCCO3)c(C)c12.
What is the InChIKey of 2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide?
The InChIKey is FUSCVNFCWBUMJG-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-8-12-9(2)18-14(10-5-6-10)19-17(12)25-13(8)16(23)21-20-15(22)11-4-3-7-24-11/h10-11H,3-7H2,1-2H3,(H,20,22)(H,21,23)/t11-/m0/s1.
What are the key properties of 2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide?
2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide has a molecular weight of 360.44 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,5-dimethyl-N'-[(2S)-oxolane-2-carbonyl]thieno[2,3-d]pyrimidine-6-carbohydrazide is sourced from PubChem (CID 39480750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).