4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol

C20H25N7O3S2 — CID 143694962

IUPAC4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol
SMILESCS(=O)N1CCC(O)(c2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C20H25N7O3S2/c1-32(29)27-4-2-20(28,3-5-27)15-10-14-16(31-15)18(26-6-8-30-9-7-26)25-17(24-14)13-11-22-19(21)23-12-13/h10-12,28H,2-9H2,1H3,(H2,21,22,23)
InChIKeyLPWVXSGDJYNYRI-UHFFFAOYSA-N
MW475.60 g/mol
LogP1.14
Rot. Bonds4

About 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol

4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol (PubChem CID 143694962) has the molecular formula C20H25N7O3S2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol.

Molecular Properties

Compound Name4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol
PubChem CID143694962
Molecular FormulaC20H25N7O3S2
Molecular Weight475.60 g/mol
Exact Mass475.15
IUPAC Name4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol
SMILESCS(=O)N1CCC(O)(c2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C20H25N7O3S2/c1-32(29)27-4-2-20(28,3-5-27)15-10-14-16(31-15)18(26-6-8-30-9-7-26)25-17(24-14)13-11-22-19(21)23-12-13/h10-12,28H,2-9H2,1H3,(H2,21,22,23)
InChIKeyLPWVXSGDJYNYRI-UHFFFAOYSA-N
XLogP1.14
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-4-methylpiperidin-4-ol
CID 24946704
1-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethenol
CID 89235079
N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide
CID 59829265
5-[4-morpholin-4-yl-6-(1-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 143690177
3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]benzoic acid
CID 25109374
1-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 59829302
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 46180604
5-(2-methyl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)pyrimidin-2-amine
CID 143782763
5-[4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 66934113
5-[6-(3-methoxyprop-1-enyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 69045124
(2S)-1-[4-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 58233954
5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829258

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol?
The IUPAC name of 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol (CID 143694962) is 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol.
What is the SMILES notation for 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol?
The canonical SMILES for 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol is CS(=O)N1CCC(O)(c2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol?
The InChIKey is LPWVXSGDJYNYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3S2/c1-32(29)27-4-2-20(28,3-5-27)15-10-14-16(31-15)18(26-6-8-30-9-7-26)25-17(24-14)13-11-22-19(21)23-12-13/h10-12,28H,2-9H2,1H3,(H2,21,22,23).
What are the key properties of 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol?
4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol has a molecular weight of 475.60 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-1-methylsulfinylpiperidin-4-ol is sourced from PubChem (CID 143694962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).