1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine

C18H22N6O3S — CID 118928401

IUPAC1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine
SMILESCNCc1cc2nc(-c3cnc(OC)nc3OC)nc(N3CCOCC3)c2s1
InChIInChI=1S/C18H22N6O3S/c1-19-9-11-8-13-14(28-11)16(24-4-6-27-7-5-24)22-15(21-13)12-10-20-18(26-3)23-17(12)25-2/h8,10,19H,4-7,9H2,1-3H3
InChIKeyHECAJOXMNPKHGP-UHFFFAOYSA-N
MW402.48 g/mol
LogP1.72
Rot. Bonds6

About 1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine

1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine (PubChem CID 118928401) has the molecular formula C18H22N6O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is 1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine
PubChem CID118928401
Molecular FormulaC18H22N6O3S
Molecular Weight402.48 g/mol
Exact Mass402.15
IUPAC Name1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine
SMILESCNCc1cc2nc(-c3cnc(OC)nc3OC)nc(N3CCOCC3)c2s1
InChIInChI=1S/C18H22N6O3S/c1-19-9-11-8-13-14(28-11)16(24-4-6-27-7-5-24)22-15(21-13)12-10-20-18(26-3)23-17(12)25-2/h8,10,19H,4-7,9H2,1-3H3
InChIKeyHECAJOXMNPKHGP-UHFFFAOYSA-N
XLogP1.72
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[2-(2,4-dimethoxypyrimidin-5-yl)-6-[(4-methylsulfonylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 58234063
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
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
4-[2-(2,4-dimethoxypyrimidin-5-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 70306461
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfonamide
CID 59592859
5-[6-(3-methoxyoxetan-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]-N-methylpyrimidin-2-amine
CID 59829612
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-methylsulfonylethanamine
CID 59593057
N-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide
CID 130241708
N-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 130242036
5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 46180604
5-fluoro-2-methyl-3-[6-[(4-methylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]aniline
CID 57493984
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 1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine (CID 118928401) is 1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine is CNCc1cc2nc(-c3cnc(OC)nc3OC)nc(N3CCOCC3)c2s1.
What is the InChIKey of 1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine?
The InChIKey is HECAJOXMNPKHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3S/c1-19-9-11-8-13-14(28-11)16(24-4-6-27-7-5-24)22-15(21-13)12-10-20-18(26-3)23-17(12)25-2/h8,10,19H,4-7,9H2,1-3H3.
What are the key properties of 1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine?
1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine has a molecular weight of 402.48 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine is sourced from PubChem (CID 118928401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).