N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide

C21H24N4O2S — CID 42418902

IUPACN-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccccc2)sc2ncnc(NC[C@H]3CCCO3)c12
InChIInChI=1S/C21H24N4O2S/c1-14-17-19(22-11-16-9-6-10-27-16)23-13-24-20(17)28-18(14)21(26)25(2)12-15-7-4-3-5-8-15/h3-5,7-8,13,16H,6,9-12H2,1-2H3,(H,22,23,24)/t16-/m1/s1
InChIKeyNGPLPYQZCWCAOL-MRXNPFEDSA-N
MW396.52 g/mol
LogP3.86
Rot. Bonds6

About N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide

N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42418902) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID42418902
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccccc2)sc2ncnc(NC[C@H]3CCCO3)c12
InChIInChI=1S/C21H24N4O2S/c1-14-17-19(22-11-16-9-6-10-27-16)23-13-24-20(17)28-18(14)21(26)25(2)12-15-7-4-3-5-8-15/h3-5,7-8,13,16H,6,9-12H2,1-2H3,(H,22,23,24)/t16-/m1/s1
InChIKeyNGPLPYQZCWCAOL-MRXNPFEDSA-N
XLogP3.86
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26274263
N,5-dimethyl-4-[[(2S)-oxolan-2-yl]methylamino]-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25295165
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
N-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45166790
N-ethyl-5-methyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45235968
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
5-methyl-N-(3-methylbutyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45225857
N-[(2-methoxyphenyl)methyl]-5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42452538
5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45229234
[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 N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 42418902) is N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)N(C)Cc2ccccc2)sc2ncnc(NC[C@H]3CCCO3)c12.
What is the InChIKey of N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is NGPLPYQZCWCAOL-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-14-17-19(22-11-16-9-6-10-27-16)23-13-24-20(17)28-18(14)21(26)25(2)12-15-7-4-3-5-8-15/h3-5,7-8,13,16H,6,9-12H2,1-2H3,(H,22,23,24)/t16-/m1/s1.
What are the key properties of N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide?
N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42418902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).