5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide

C17H24N4O3S — CID 45244313

IUPAC5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCOC(C)C)sc2ncnc(NC3CCOC3)c12
InChIInChI=1S/C17H24N4O3S/c1-10(2)24-7-5-18-16(22)14-11(3)13-15(19-9-20-17(13)25-14)21-12-4-6-23-8-12/h9-10,12H,4-8H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyTUYJQYHJFIJYDX-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.36
Rot. Bonds7

About 5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide

5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45244313) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45244313
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCOC(C)C)sc2ncnc(NC3CCOC3)c12
InChIInChI=1S/C17H24N4O3S/c1-10(2)24-7-5-18-16(22)14-11(3)13-15(19-9-20-17(13)25-14)21-12-4-6-23-8-12/h9-10,12H,4-8H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyTUYJQYHJFIJYDX-UHFFFAOYSA-N
XLogP2.36
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,5-dimethyl-4-[[(3S)-oxolan-3-yl]amino]-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 26275489
5-methyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 80713163
5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45229234
4-(azocan-1-yl)-5-methyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42379109
4-[(3-methoxyphenyl)methylamino]-5-methyl-N-[(3R)-oxolan-3-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42398144
ethyl 5-methyl-4-[1-(oxan-4-yl)ethylamino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 133366233
N-[3-(dimethylamino)propyl]-4-[[4-fluoro-2-(oxolan-3-yloxy)cyclohexa-2,4-dien-1-yl]amino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 123974188
5-methyl-N-(3-methylbutyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45225857
N-[3-(dimethylamino)propyl]-4-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyanilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 53373805
4-(ethylamino)-5-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294318
N-(3-ethoxypropyl)-4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42436205
N-cycloheptyl-4-(ethylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 56854446

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 45244313) is 5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCOC(C)C)sc2ncnc(NC3CCOC3)c12.
What is the InChIKey of 5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is TUYJQYHJFIJYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-10(2)24-7-5-18-16(22)14-11(3)13-15(19-9-20-17(13)25-14)21-12-4-6-23-8-12/h9-10,12H,4-8H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of 5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45244313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).