N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine

C19H20N6OS — CID 59592837

IUPACN-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine
SMILESCNCc1cc2nc(-c3cnc4[nH]ccc4c3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C19H20N6OS/c1-20-11-14-9-15-16(27-14)19(25-4-6-26-7-5-25)24-18(23-15)13-8-12-2-3-21-17(12)22-10-13/h2-3,8-10,20H,4-7,11H2,1H3,(H,21,22)
InChIKeyLPRIICGUQQVMND-UHFFFAOYSA-N
MW380.48 g/mol
LogP2.79
Rot. Bonds4

About N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine

N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine (PubChem CID 59592837) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine
PubChem CID59592837
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC NameN-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine
SMILESCNCc1cc2nc(-c3cnc4[nH]ccc4c3)nc(N3CCOCC3)c2s1
InChIInChI=1S/C19H20N6OS/c1-20-11-14-9-15-16(27-14)19(25-4-6-26-7-5-25)24-18(23-15)13-8-12-2-3-21-17(12)22-10-13/h2-3,8-10,20H,4-7,11H2,1H3,(H,21,22)
InChIKeyLPRIICGUQQVMND-UHFFFAOYSA-N
XLogP2.79
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine with MolForge

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Related Compounds

1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine
CID 118928401
N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine
CID 24969577
6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)furo[3,2-d]pyrimidine
CID 24995736
methoxymethane;4-[6-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 143572067
4-[6-methyl-5-[(6-morpholin-4-yl-3-pyridinyl)methylsulfanyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-4-yl]morpholine
CID 143572306
[3-[7-methyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]phenyl]-methylsulfonylmethanamine
CID 91176234
acetylene;2-hydroxy-1-[4-[[7-methyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]ethanone
CID 143572074
6,6-dimethyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-8,9-dihydropurino[8,9-c][1,4]oxazine
CID 57385104
2-[2-(1H-indol-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-ol
CID 59593089
4-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]morpholine
CID 141372459
2-[[2-(4-aminophenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 46841514
1-[2-(2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol
CID 143572292

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine?
The IUPAC name of N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine (CID 59592837) is N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine is CNCc1cc2nc(-c3cnc4[nH]ccc4c3)nc(N3CCOCC3)c2s1.
What is the InChIKey of N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine?
The InChIKey is LPRIICGUQQVMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c1-20-11-14-9-15-16(27-14)19(25-4-6-26-7-5-25)24-18(23-15)13-8-12-2-3-21-17(12)22-10-13/h2-3,8-10,20H,4-7,11H2,1H3,(H,21,22).
What are the key properties of N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine?
N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine has a molecular weight of 380.48 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 59592837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).