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

C15H20N4O2S — CID 45166790

IUPACN-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1sc2ncnc(NCC3CCCO3)c2c1C
InChIInChI=1S/C15H20N4O2S/c1-3-16-14(20)12-9(2)11-13(18-8-19-15(11)22-12)17-7-10-5-4-6-21-10/h8,10H,3-7H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyUROHNJNJAIQFTM-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.34
Rot. Bonds5

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

N-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45166790) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45166790
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCCNC(=O)c1sc2ncnc(NCC3CCCO3)c2c1C
InChIInChI=1S/C15H20N4O2S/c1-3-16-14(20)12-9(2)11-13(18-8-19-15(11)22-12)17-7-10-5-4-6-21-10/h8,10H,3-7H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyUROHNJNJAIQFTM-UHFFFAOYSA-N
XLogP2.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(3-methylbutyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45225857
5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45229234
5-methyl-4-[[(2S)-oxolan-2-yl]methylamino]-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294833
N-ethyl-5-methyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45235968
N-[(2-methoxyphenyl)methyl]-5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42452538
N,5-dimethyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45217474
[5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 45251545
N-[2-(3-chlorophenyl)ethyl]-5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26345206
N-[2-(3-chlorophenyl)ethyl]-5-methyl-4-[[(2S)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26345201
N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42418902
[4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(2S)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 25292209
4-[(2-methoxyphenyl)methylamino]-5-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45215842

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide (CID 45166790) is N-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide is CCNC(=O)c1sc2ncnc(NCC3CCCO3)c2c1C.
What is the InChIKey of N-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is UROHNJNJAIQFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-3-16-14(20)12-9(2)11-13(18-8-19-15(11)22-12)17-7-10-5-4-6-21-10/h8,10H,3-7H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of N-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide?
N-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45166790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).