N-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C20H24N4O3S — CID 45221724

IUPACN-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1CCNc1ncnc2sc(C(=O)NC(C)CO)c(C)c12
InChIInChI=1S/C20H24N4O3S/c1-12(10-25)24-19(26)17-13(2)16-18(22-11-23-20(16)28-17)21-9-8-14-6-4-5-7-15(14)27-3/h4-7,11-12,25H,8-10H2,1-3H3,(H,24,26)(H,21,22,23)
InChIKeyWVKZRWINOJGGKP-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.77
Rot. Bonds8

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

N-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 45221724) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID45221724
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1ccccc1CCNc1ncnc2sc(C(=O)NC(C)CO)c(C)c12
InChIInChI=1S/C20H24N4O3S/c1-12(10-25)24-19(26)17-13(2)16-18(22-11-23-20(16)28-17)21-9-8-14-6-4-5-7-15(14)27-3/h4-7,11-12,25H,8-10H2,1-3H3,(H,24,26)(H,21,22,23)
InChIKeyWVKZRWINOJGGKP-UHFFFAOYSA-N
XLogP2.77
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2R)-1-methoxypropan-2-yl]-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 42430333
N-(1-hydroxy-2-methylpropan-2-yl)-4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42499865
N-[(4R)-2,2-dimethyloxan-4-yl]-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 25291266
N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-4-[(5-methylfuran-2-yl)methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 125171845
4-[(2-methoxyphenyl)methylamino]-5-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45215842
4-[2-(1H-indol-3-yl)ethylamino]-N-(1-methoxybutan-2-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 45194217
N-[(2-methoxyphenyl)methyl]-5-methyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42452538
N-butyl-4-[(2-methoxyphenyl)methylamino]-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42472593
[4-[(2-methoxyphenyl)methylamino]-5-methylthieno[2,3-d]pyrimidin-6-yl]-(3-methylpiperidin-1-yl)methanone
CID 45236756
ethyl 5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxylate
CID 733147
N-(2-hydroxybutyl)-5-methyl-4-(2-phenylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45218523
4-(1-benzothiophen-2-ylmethylamino)-5-methyl-N-propan-2-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 42471704

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 45221724) is N-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is COc1ccccc1CCNc1ncnc2sc(C(=O)NC(C)CO)c(C)c12.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is WVKZRWINOJGGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-12(10-25)24-19(26)17-13(2)16-18(22-11-23-20(16)28-17)21-9-8-14-6-4-5-7-15(14)27-3/h4-7,11-12,25H,8-10H2,1-3H3,(H,24,26)(H,21,22,23).
What are the key properties of N-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 2.77, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-4-[2-(2-methoxyphenyl)ethylamino]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 45221724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).