N-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C20H24N4O3S — CID 42499865

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1CNc1ncnc2sc(C(=O)NC(C)(C)CO)c(C)c12
InChIInChI=1S/C20H24N4O3S/c1-12-15-17(21-9-13-7-5-6-8-14(13)27-4)22-11-23-19(15)28-16(12)18(26)24-20(2,3)10-25/h5-8,11,25H,9-10H2,1-4H3,(H,24,26)(H,21,22,23)
InChIKeyGTUHZJCFIXZROT-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.12
Rot. Bonds7

About N-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 42499865) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID42499865
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1CNc1ncnc2sc(C(=O)NC(C)(C)CO)c(C)c12
InChIInChI=1S/C20H24N4O3S/c1-12-15-17(21-9-13-7-5-6-8-14(13)27-4)22-11-23-19(15)28-16(12)18(26)24-20(2,3)10-25/h5-8,11,25H,9-10H2,1-4H3,(H,24,26)(H,21,22,23)
InChIKeyGTUHZJCFIXZROT-UHFFFAOYSA-N
XLogP3.12
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-butyl-4-[(2-methoxyphenyl)methylamino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42472593
4-[(2-methoxyphenyl)methylamino]-5-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45215842
N-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 45221724
[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
CID 45236756
4-[(2-methoxyphenyl)methylamino]-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26352092
N-[(2-methoxyphenyl)methyl]-5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42452538
[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45166956
N-tert-butyl-5-methyl-4-(thiophen-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 26357864
N-[(4R)-2,2-dimethyloxan-4-yl]-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 25291266
N-[2-(diethylamino)ethyl]-4-[(2-fluorophenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42368938
4-(4-ethylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 20956833
2-tert-butyl-N-[(2-methoxyphenyl)methyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 24628423

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 42499865) is N-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is COc1ccccc1CNc1ncnc2sc(C(=O)NC(C)(C)CO)c(C)c12.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GTUHZJCFIXZROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-12-15-17(21-9-13-7-5-6-8-14(13)27-4)22-11-23-19(15)28-16(12)18(26)24-20(2,3)10-25/h5-8,11,25H,9-10H2,1-4H3,(H,24,26)(H,21,22,23).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 42499865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).