(2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol

C22H24N8O2S — CID 59829487

IUPAC(2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol
SMILESC[C@@H](O)CNc1ccc(-c2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)cn1
InChIInChI=1S/C22H24N8O2S/c1-13(31)9-24-18-3-2-14(10-25-18)17-8-16-19(33-17)21(30-4-6-32-7-5-30)29-20(28-16)15-11-26-22(23)27-12-15/h2-3,8,10-13,31H,4-7,9H2,1H3,(H,24,25)(H2,23,26,27)/t13-/m1/s1
InChIKeyPXBJPAKFNJBDKK-CYBMUJFWSA-N
MW464.56 g/mol
LogP2.42
Rot. Bonds6

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

(2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol (PubChem CID 59829487) has the molecular formula C22H24N8O2S and a molecular weight of 464.56 g/mol. Its IUPAC name is (2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol
PubChem CID59829487
Molecular FormulaC22H24N8O2S
Molecular Weight464.56 g/mol
Exact Mass464.17
IUPAC Name(2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol
SMILESC[C@@H](O)CNc1ccc(-c2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)cn1
InChIInChI=1S/C22H24N8O2S/c1-13(31)9-24-18-3-2-14(10-25-18)17-8-16-19(33-17)21(30-4-6-32-7-5-30)29-20(28-16)15-11-26-22(23)27-12-15/h2-3,8,10-13,31H,4-7,9H2,1H3,(H,24,25)(H2,23,26,27)/t13-/m1/s1
InChIKeyPXBJPAKFNJBDKK-CYBMUJFWSA-N
XLogP2.42
TPSA135.20 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze (2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]benzoic acid
CID 25109374
5-[6-(2-fluoro-4-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829258
2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 59829471
5-[4-morpholin-4-yl-6-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829333
5-[4-morpholin-4-yl-6-[3-(2H-tetrazol-5-yl)phenyl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 25109321
(2S)-1-[3-[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]sulfonylpropan-2-ol
CID 59829562
(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
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
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-[4-morpholin-4-yl-6-(1-piperazin-1-ylethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 143690177
N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide
CID 59829265

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol (CID 59829487) is (2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol is C[C@@H](O)CNc1ccc(-c2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)cn1.
What is the InChIKey of (2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol?
The InChIKey is PXBJPAKFNJBDKK-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H24N8O2S/c1-13(31)9-24-18-3-2-14(10-25-18)17-8-16-19(33-17)21(30-4-6-32-7-5-30)29-20(28-16)15-11-26-22(23)27-12-15/h2-3,8,10-13,31H,4-7,9H2,1H3,(H,24,25)(H2,23,26,27)/t13-/m1/s1.
What are the key properties of (2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol?
(2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol has a molecular weight of 464.56 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]amino]propan-2-ol is sourced from PubChem (CID 59829487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).