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

C16H18N6O3S — CID 59647188

IUPAC5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cncc(-c2nc(N[C@@H](C)CO)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C16H18N6O3S/c1-7(6-23)20-16-21-12(8-3-9(25-2)5-19-4-8)10-11(17)13(14(18)24)26-15(10)22-16/h3-5,7,23H,6,17H2,1-2H3,(H2,18,24)(H,20,21,22)/t7-/m0/s1
InChIKeyKPTVKDXGYFKKAX-ZETCQYMHSA-N
MW374.43 g/mol
LogP1.24
Rot. Bonds6

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

5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 59647188) has the molecular formula C16H18N6O3S and a molecular weight of 374.43 g/mol. Its IUPAC name is 5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID59647188
Molecular FormulaC16H18N6O3S
Molecular Weight374.43 g/mol
Exact Mass374.12
IUPAC Name5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCOc1cncc(-c2nc(N[C@@H](C)CO)nc3sc(C(N)=O)c(N)c23)c1
InChIInChI=1S/C16H18N6O3S/c1-7(6-23)20-16-21-12(8-3-9(25-2)5-19-4-8)10-11(17)13(14(18)24)26-15(10)22-16/h3-5,7,23H,6,17H2,1-2H3,(H2,18,24)(H,20,21,22)/t7-/m0/s1
InChIKeyKPTVKDXGYFKKAX-ZETCQYMHSA-N
XLogP1.24
TPSA149.27 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide (CID 59647188) is 5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide is COc1cncc(-c2nc(N[C@@H](C)CO)nc3sc(C(N)=O)c(N)c23)c1.
What is the InChIKey of 5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is KPTVKDXGYFKKAX-ZETCQYMHSA-N. The full InChI is InChI=1S/C16H18N6O3S/c1-7(6-23)20-16-21-12(8-3-9(25-2)5-19-4-8)10-11(17)13(14(18)24)26-15(10)22-16/h3-5,7,23H,6,17H2,1-2H3,(H2,18,24)(H,20,21,22)/t7-/m0/s1.
What are the key properties of 5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 374.43 g/mol, XLogP of 1.24, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[(2S)-1-hydroxypropan-2-yl]amino]-4-(5-methoxy-3-pyridinyl)thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 59647188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).