1-hydroxy-N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-propyl-2H-pyrimidin-2-amine

C25H28N8O2S — CID 151697461

IUPAC1-hydroxy-N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-propyl-2H-pyrimidin-2-amine
SMILESCCCN(Cc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1)C1N=CC=CN1O
InChIInChI=1S/C25H28N8O2S/c1-2-8-32(25-26-7-4-9-33(25)34)16-17-14-21-22(36-17)24(31-10-12-35-13-11-31)29-23(28-21)18-5-3-6-20-19(18)15-27-30-20/h3-7,9,14-15,25,34H,2,8,10-13,16H2,1H3,(H,27,30)
InChIKeyRDWFURSAVAHVOI-UHFFFAOYSA-N
MW504.62 g/mol
LogP3.86
Rot. Bonds7

About 1-hydroxy-N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-propyl-2H-pyrimidin-2-amine

1-hydroxy-N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-propyl-2H-pyrimidin-2-amine (PubChem CID 151697461) has the molecular formula C25H28N8O2S and a molecular weight of 504.62 g/mol. Its IUPAC name is 1-hydroxy-N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-propyl-2H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-hydroxy-N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-propyl-2H-pyrimidin-2-amine
PubChem CID151697461
Molecular FormulaC25H28N8O2S
Molecular Weight504.62 g/mol
Exact Mass504.21
IUPAC Name1-hydroxy-N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-propyl-2H-pyrimidin-2-amine
SMILESCCCN(Cc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1)C1N=CC=CN1O
InChIInChI=1S/C25H28N8O2S/c1-2-8-32(25-26-7-4-9-33(25)34)16-17-14-21-22(36-17)24(31-10-12-35-13-11-31)29-23(28-21)18-5-3-6-20-19(18)15-27-30-20/h3-7,9,14-15,25,34H,2,8,10-13,16H2,1H3,(H,27,30)
InChIKeyRDWFURSAVAHVOI-UHFFFAOYSA-N
XLogP3.86
TPSA106.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.62
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-hydroxy-N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-propyl-2H-pyrimidin-2-amine with MolForge

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Related Compounds

3-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N,N-dimethylpropan-1-amine
CID 130267909
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfonamide
CID 59592859
N-[[2-[3-(dimethylamino)phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-hydroxy-N-methyl-2H-pyrimidin-2-amine
CID 150228567
4-[6-chloro-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59592910
[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-(2-methoxyethyl)amino]methanesulfinic acid
CID 67188694
4-[6-ethenyl-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 70310200
2-[2-(dimethylamino)ethyl-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 46840701
4-[6-(1,5-dihydropyrazol-2-ylmethyl)-2-(1H-indazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 130241331
6-[2-acetamidoethyl-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]amino]-N-hydroxypyridine-3-carboxamide
CID 118244418
(3R)-1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidine-3-carboxylic acid;methanamine
CID 160660217
1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylpyrrolidin-3-amine
CID 143572078
1-[4-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-6-methylhept-5-ene-1,4-dione
CID 58441401

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-propyl-2H-pyrimidin-2-amine?
The IUPAC name of 1-hydroxy-N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-propyl-2H-pyrimidin-2-amine (CID 151697461) is 1-hydroxy-N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-propyl-2H-pyrimidin-2-amine.
What is the SMILES notation for 1-hydroxy-N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-propyl-2H-pyrimidin-2-amine?
The canonical SMILES for 1-hydroxy-N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-propyl-2H-pyrimidin-2-amine is CCCN(Cc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1)C1N=CC=CN1O.
What is the InChIKey of 1-hydroxy-N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-propyl-2H-pyrimidin-2-amine?
The InChIKey is RDWFURSAVAHVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2S/c1-2-8-32(25-26-7-4-9-33(25)34)16-17-14-21-22(36-17)24(31-10-12-35-13-11-31)29-23(28-21)18-5-3-6-20-19(18)15-27-30-20/h3-7,9,14-15,25,34H,2,8,10-13,16H2,1H3,(H,27,30).
What are the key properties of 1-hydroxy-N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-propyl-2H-pyrimidin-2-amine?
1-hydroxy-N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-propyl-2H-pyrimidin-2-amine has a molecular weight of 504.62 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-propyl-2H-pyrimidin-2-amine is sourced from PubChem (CID 151697461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).