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

C18H26N4O3S — CID 45229234

IUPAC5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCOC(C)C)sc2ncnc(NCC3CCCO3)c12
InChIInChI=1S/C18H26N4O3S/c1-11(2)24-8-6-19-17(23)15-12(3)14-16(21-10-22-18(14)26-15)20-9-13-5-4-7-25-13/h10-11,13H,4-9H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyKIAMMKBWNZUWDW-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.75
Rot. Bonds8

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

5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45229234) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45229234
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NCCOC(C)C)sc2ncnc(NCC3CCCO3)c12
InChIInChI=1S/C18H26N4O3S/c1-11(2)24-8-6-19-17(23)15-12(3)14-16(21-10-22-18(14)26-15)20-9-13-5-4-7-25-13/h10-11,13H,4-9H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyKIAMMKBWNZUWDW-UHFFFAOYSA-N
XLogP2.75
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.75
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

5-methyl-N-(3-methylbutyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45225857
N-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45166790
5-methyl-4-[[(2S)-oxolan-2-yl]methylamino]-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294833
N,5-dimethyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45217474
5-methyl-4-(oxolan-3-ylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45244313
N-[2-(3-chlorophenyl)ethyl]-5-methyl-4-[[(2S)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26345201
N-[2-(3-chlorophenyl)ethyl]-5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26345206
N-[(2-methoxyphenyl)methyl]-5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42452538
N-ethyl-5-methyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45235968
4-[(2-methoxyphenyl)methylamino]-5-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45215842
N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42418902
[5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 45251545

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 45229234) is 5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCOC(C)C)sc2ncnc(NCC3CCCO3)c12.
What is the InChIKey of 5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KIAMMKBWNZUWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-11(2)24-8-6-19-17(23)15-12(3)14-16(21-10-22-18(14)26-15)20-9-13-5-4-7-25-13/h10-11,13H,4-9H2,1-3H3,(H,19,23)(H,20,21,22).
What are the key properties of 5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45229234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).