1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine

C26H31FN6OS — CID 59151261

IUPAC1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(Cc2cc3nc(-c4cc(F)cc5[nH]ccc45)nc(N4CCOCC4)c3s2)C1
InChIInChI=1S/C26H31FN6OS/c1-31(2)18-4-3-7-32(15-18)16-19-14-23-24(35-19)26(33-8-10-34-11-9-33)30-25(29-23)21-12-17(27)13-22-20(21)5-6-28-22/h5-6,12-14,18,28H,3-4,7-11,15-16H2,1-2H3
InChIKeyAUPVJZZVIMUFKH-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.34
Rot. Bonds5

About 1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine

1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 59151261) has the molecular formula C26H31FN6OS and a molecular weight of 494.64 g/mol. Its IUPAC name is 1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine
PubChem CID59151261
Molecular FormulaC26H31FN6OS
Molecular Weight494.64 g/mol
Exact Mass494.23
IUPAC Name1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine
SMILESCN(C)C1CCCN(Cc2cc3nc(-c4cc(F)cc5[nH]ccc45)nc(N4CCOCC4)c3s2)C1
InChIInChI=1S/C26H31FN6OS/c1-31(2)18-4-3-7-32(15-18)16-19-14-23-24(35-19)26(33-8-10-34-11-9-33)30-25(29-23)21-12-17(27)13-22-20(21)5-6-28-22/h5-6,12-14,18,28H,3-4,7-11,15-16H2,1-2H3
InChIKeyAUPVJZZVIMUFKH-UHFFFAOYSA-N
XLogP4.34
TPSA60.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine with MolForge

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Related Compounds

4-[2-(6-fluoro-1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937383
N-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylmethanesulfonamide
CID 155568452
4-[2-(6-fluoro-1H-indol-4-yl)-6-[[(3R)-3-propan-2-ylpiperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24936354
1-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-1,3-dimethylurea
CID 155523124
4-[6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 58117040
4-[2-(6-methoxy-1H-indol-4-yl)-6-[(4-methylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24938257
N-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-3-yl]-N-methylmethanesulfonamide
CID 155561328
4-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-1H-indole-6-carbonitrile
CID 24936486
3-[6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11690718
4-[2-(6-fluoro-1H-indol-4-yl)-6-(1-piperazin-1-ylbutyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 91556339
4-[2-(6-methylsulfonyl-1H-indol-4-yl)-6-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24937009
6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 25123722

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine (CID 59151261) is 1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine is CN(C)C1CCCN(Cc2cc3nc(-c4cc(F)cc5[nH]ccc45)nc(N4CCOCC4)c3s2)C1.
What is the InChIKey of 1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is AUPVJZZVIMUFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6OS/c1-31(2)18-4-3-7-32(15-18)16-19-14-23-24(35-19)26(33-8-10-34-11-9-33)30-25(29-23)21-12-17(27)13-22-20(21)5-6-28-22/h5-6,12-14,18,28H,3-4,7-11,15-16H2,1-2H3.
What are the key properties of 1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine?
1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 494.64 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(6-fluoro-1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 59151261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).