1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone

C17H19N5O3S — CID 59647073

IUPAC1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
SMILESCOc1cncc(-c2nc(N[C@@H](C)CO)nc3sc(C(C)=O)c(N)c23)c1
InChIInChI=1S/C17H19N5O3S/c1-8(7-23)20-17-21-14(10-4-11(25-3)6-19-5-10)12-13(18)15(9(2)24)26-16(12)22-17/h4-6,8,23H,7,18H2,1-3H3,(H,20,21,22)/t8-/m0/s1
InChIKeyGYXYMKHJLUMQQJ-QMMMGPOBSA-N
MW373.44 g/mol
LogP2.34
Rot. Bonds6

About 1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone

1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 59647073) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
PubChem CID59647073
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone
SMILESCOc1cncc(-c2nc(N[C@@H](C)CO)nc3sc(C(C)=O)c(N)c23)c1
InChIInChI=1S/C17H19N5O3S/c1-8(7-23)20-17-21-14(10-4-11(25-3)6-19-5-10)12-13(18)15(9(2)24)26-16(12)22-17/h4-6,8,23H,7,18H2,1-3H3,(H,20,21,22)/t8-/m0/s1
InChIKeyGYXYMKHJLUMQQJ-QMMMGPOBSA-N
XLogP2.34
TPSA123.25 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone with MolForge

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Related Compounds

5-amino-4-(3,4-dichlorophenyl)-2-(1-hydroxypropan-2-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 59647009
1-[5-amino-4-(3,4-dichlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647364
5-amino-2-(butan-2-ylamino)-4-(3-chloro-4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 143513310
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
1-[5-amino-2-(cyclopropylamino)-4-[4-(hydroxymethyl)phenyl]thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647299
5-amino-4-(5-ethoxy-3-pyridinyl)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide
CID 69237646
3-[[6-acetyl-5-amino-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-2-yl]amino]propanamide
CID 59647340
13-acetyl-14-amino-16-(4-methoxyphenyl)-12-thia-10-azatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaen-8-one
CID 1022255
5-amino-2-(butan-2-ylamino)-4-(2-fluorophenyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 143513566
1-[5-amino-4-(3-chlorophenyl)-2-(cyclopropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647302
1-[5-amino-2-(azetidin-1-yl)-4-(3,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(4-hydroxybutylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(3-hydroxypropylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-(propan-2-ylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone;1-[5-amino-4-(3,4-dichlorophenyl)-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidin-6-yl]ethanone
CID 158249298
5-amino-N-ethyl-4-(3-methoxyphenyl)-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 139934875

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone (CID 59647073) is 1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone is COc1cncc(-c2nc(N[C@@H](C)CO)nc3sc(C(C)=O)c(N)c23)c1.
What is the InChIKey of 1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is GYXYMKHJLUMQQJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-8(7-23)20-17-21-14(10-4-11(25-3)6-19-5-10)12-13(18)15(9(2)24)26-16(12)22-17/h4-6,8,23H,7,18H2,1-3H3,(H,20,21,22)/t8-/m0/s1.
What are the key properties of 1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 373.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 59647073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).