5-amino-4-(3-hydroxy-2-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

C18H21N5O3S — CID 59647378

IUPAC5-amino-4-(3-hydroxy-2-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(O)cccc1-c1nc(NC(C)(C)CO)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C18H21N5O3S/c1-8-9(5-4-6-10(8)25)13-11-12(19)14(15(20)26)27-16(11)22-17(21-13)23-18(2,3)7-24/h4-6,24-25H,7,19H2,1-3H3,(H2,20,26)(H,21,22,23)
InChIKeyDNRLPYVCIOAEAA-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.24
Rot. Bonds5

About 5-amino-4-(3-hydroxy-2-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-(3-hydroxy-2-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59647378) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 5-amino-4-(3-hydroxy-2-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-(3-hydroxy-2-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID59647378
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name5-amino-4-(3-hydroxy-2-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1c(O)cccc1-c1nc(NC(C)(C)CO)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C18H21N5O3S/c1-8-9(5-4-6-10(8)25)13-11-12(19)14(15(20)26)27-16(11)22-17(21-13)23-18(2,3)7-24/h4-6,24-25H,7,19H2,1-3H3,(H2,20,26)(H,21,22,23)
InChIKeyDNRLPYVCIOAEAA-UHFFFAOYSA-N
XLogP2.24
TPSA147.38 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-2-(butan-2-ylamino)-4-(2-fluorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 143513566
1-[5-amino-4-(2-fluoro-3-hydroxyphenyl)-2-[[(2S)-1-hydroxybutan-2-yl]amino]thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59646989
5-amino-4-(4,5-dimethylfuran-2-yl)-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 58125855
5-amino-4-(3,4-dichlorophenyl)-2-(1-hydroxypropan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59647009
5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 143513310
CID 87785546
CID 87785546
5-amino-4-(5-methylfuran-2-yl)-2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 58125858
5-amino-4-anilino-2-(methylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 143513476
5-amino-4-(3,4-dichlorophenyl)-2-(3-methoxypropylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59647118
3-amino-4-(3,4-dimethylphenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 4775990
5-amino-4-(3,4-dichlorophenyl)-2-[[1-(hydroxymethyl)cyclopropyl]amino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 59647058
5-amino-4-anilino-2-(butan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 143513627

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-hydroxy-2-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-(3-hydroxy-2-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide (CID 59647378) is 5-amino-4-(3-hydroxy-2-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-(3-hydroxy-2-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-(3-hydroxy-2-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(O)cccc1-c1nc(NC(C)(C)CO)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 5-amino-4-(3-hydroxy-2-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DNRLPYVCIOAEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-8-9(5-4-6-10(8)25)13-11-12(19)14(15(20)26)27-16(11)22-17(21-13)23-18(2,3)7-24/h4-6,24-25H,7,19H2,1-3H3,(H2,20,26)(H,21,22,23).
What are the key properties of 5-amino-4-(3-hydroxy-2-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-(3-hydroxy-2-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 2.24, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-hydroxy-2-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59647378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).