N-tert-butyl-4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C22H26N4O2S — CID 42419269

IUPACN-tert-butyl-4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC(C)(C)C)sc2ncnc(NC[C@H]3CCc4ccccc4O3)c12
InChIInChI=1S/C22H26N4O2S/c1-13-17-19(23-11-15-10-9-14-7-5-6-8-16(14)28-15)24-12-25-21(17)29-18(13)20(27)26-22(2,3)4/h5-8,12,15H,9-11H2,1-4H3,(H,26,27)(H,23,24,25)/t15-/m1/s1
InChIKeySKAXAVFJYBPCQF-OAHLLOKOSA-N
MW410.54 g/mol
LogP4.33
Rot. Bonds4

About N-tert-butyl-4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

N-tert-butyl-4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42419269) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-tert-butyl-4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID42419269
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-tert-butyl-4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(C(=O)NC(C)(C)C)sc2ncnc(NC[C@H]3CCc4ccccc4O3)c12
InChIInChI=1S/C22H26N4O2S/c1-13-17-19(23-11-15-10-9-14-7-5-6-8-16(14)28-15)24-12-25-21(17)29-18(13)20(27)26-22(2,3)4/h5-8,12,15H,9-11H2,1-4H3,(H,26,27)(H,23,24,25)/t15-/m1/s1
InChIKeySKAXAVFJYBPCQF-OAHLLOKOSA-N
XLogP4.33
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 45166756
N-tert-butyl-5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26357864
5-methyl-4-[[(2S)-oxolan-2-yl]methylamino]-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294833
N-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45166790
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-N-(3-methylbutyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45225857
N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42418902
4-[(2-methoxyphenyl)methylamino]-5-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45215842
N,5-dimethyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45217474
5-methyl-4-[(1-methylpyrrolidin-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 106019702
N-benzyl-N-(2-hydroxyethyl)-5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 26274263

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-tert-butyl-4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 42419269) is N-tert-butyl-4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NC(C)(C)C)sc2ncnc(NC[C@H]3CCc4ccccc4O3)c12.
What is the InChIKey of N-tert-butyl-4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is SKAXAVFJYBPCQF-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-13-17-19(23-11-15-10-9-14-7-5-6-8-16(14)28-15)24-12-25-21(17)29-18(13)20(27)26-22(2,3)4/h5-8,12,15H,9-11H2,1-4H3,(H,26,27)(H,23,24,25)/t15-/m1/s1.
What are the key properties of N-tert-butyl-4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-tert-butyl-4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42419269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).