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

C17H20N6O3S — CID 56834881

IUPAC5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cncc(-c2nc(NC(C)(C)CO)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C17H20N6O3S/c1-17(2,7-24)23-16-21-12(8-4-9(26-3)6-20-5-8)10-11(18)13(14(19)25)27-15(10)22-16/h4-6,24H,7,18H2,1-3H3,(H2,19,25)(H,21,22,23)
InChIKeyDFXKHCHQBQBUFT-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.63
Rot. Bonds6

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

5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 56834881) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID56834881
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC Name5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cncc(-c2nc(NC(C)(C)CO)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C17H20N6O3S/c1-17(2,7-24)23-16-21-12(8-4-9(26-3)6-20-5-8)10-11(18)13(14(19)25)27-15(10)22-16/h4-6,24H,7,18H2,1-3H3,(H2,19,25)(H,21,22,23)
InChIKeyDFXKHCHQBQBUFT-UHFFFAOYSA-N
XLogP1.63
TPSA149.27 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 56834881) is 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide is COc1cncc(-c2nc(NC(C)(C)CO)nc3sc(C(N)=O)c(N)c23)c1.
What is the InChIKey of 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DFXKHCHQBQBUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c1-17(2,7-24)23-16-21-12(8-4-9(26-3)6-20-5-8)10-11(18)13(14(19)25)27-15(10)22-16/h4-6,24H,7,18H2,1-3H3,(H2,19,25)(H,21,22,23).
What are the key properties of 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 1.63, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 56834881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).