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

C24H29N7O2S — CID 150228567

IUPACN-[[2-[3-(dimethylamino)phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-hydroxy-N-methyl-2H-pyrimidin-2-amine
SMILESCN(C)c1cccc(-c2nc(N3CCOCC3)c3sc(CN(C)C4N=CC=CN4O)cc3n2)c1
InChIInChI=1S/C24H29N7O2S/c1-28(2)18-7-4-6-17(14-18)22-26-20-15-19(16-29(3)24-25-8-5-9-31(24)32)34-21(20)23(27-22)30-10-12-33-13-11-30/h4-9,14-15,24,32H,10-13,16H2,1-3H3
InChIKeyFUZISQQIMZPTCI-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.27
Rot. Bonds6

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

N-[[2-[3-(dimethylamino)phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-hydroxy-N-methyl-2H-pyrimidin-2-amine (PubChem CID 150228567) has the molecular formula C24H29N7O2S and a molecular weight of 479.61 g/mol. Its IUPAC name is N-[[2-[3-(dimethylamino)phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-hydroxy-N-methyl-2H-pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[2-[3-(dimethylamino)phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-hydroxy-N-methyl-2H-pyrimidin-2-amine
PubChem CID150228567
Molecular FormulaC24H29N7O2S
Molecular Weight479.61 g/mol
Exact Mass479.21
IUPAC NameN-[[2-[3-(dimethylamino)phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-hydroxy-N-methyl-2H-pyrimidin-2-amine
SMILESCN(C)c1cccc(-c2nc(N3CCOCC3)c3sc(CN(C)C4N=CC=CN4O)cc3n2)c1
InChIInChI=1S/C24H29N7O2S/c1-28(2)18-7-4-6-17(14-18)22-26-20-15-19(16-29(3)24-25-8-5-9-31(24)32)34-21(20)23(27-22)30-10-12-33-13-11-30/h4-9,14-15,24,32H,10-13,16H2,1-3H3
InChIKeyFUZISQQIMZPTCI-UHFFFAOYSA-N
XLogP3.27
TPSA80.56 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

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
3-[6-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11619051
N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylprop-2-enamide
CID 58441410
3-[6-[[4-(dimethylamino)piperidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11496178
N,1-dimethyl-N-[(4-morpholin-4-yl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperidin-4-amine
CID 58234054
3-[6-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 11690718
(2R)-N-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methyl-5-oxooxolane-2-carboxamide
CID 58491546
3-[6-[[methyl-[(1R)-1-[(2S)-pyrrolidin-2-yl]ethyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]phenol
CID 69409597
1-[[2-(3-hydroxyphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-ol;4-methylmorpholine
CID 69395746
ethyl 2-[[2-(3-carbamoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxylate
CID 66977854
3-[4-morpholin-4-yl-6-(piperazin-1-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]phenol;hydrochloride
CID 67054453
N-hydroxy-2-[[2-[3-[(1S)-1-hydroxyethyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl-methylamino]pyrimidine-5-carboxamide
CID 86682195

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(dimethylamino)phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-hydroxy-N-methyl-2H-pyrimidin-2-amine?
The IUPAC name of 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) is N-[[2-[3-(dimethylamino)phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-hydroxy-N-methyl-2H-pyrimidin-2-amine.
What is the SMILES notation for N-[[2-[3-(dimethylamino)phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-hydroxy-N-methyl-2H-pyrimidin-2-amine?
The canonical SMILES for N-[[2-[3-(dimethylamino)phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-hydroxy-N-methyl-2H-pyrimidin-2-amine is CN(C)c1cccc(-c2nc(N3CCOCC3)c3sc(CN(C)C4N=CC=CN4O)cc3n2)c1.
What is the InChIKey of N-[[2-[3-(dimethylamino)phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-hydroxy-N-methyl-2H-pyrimidin-2-amine?
The InChIKey is FUZISQQIMZPTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2S/c1-28(2)18-7-4-6-17(14-18)22-26-20-15-19(16-29(3)24-25-8-5-9-31(24)32)34-21(20)23(27-22)30-10-12-33-13-11-30/h4-9,14-15,24,32H,10-13,16H2,1-3H3.
What are the key properties of N-[[2-[3-(dimethylamino)phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-hydroxy-N-methyl-2H-pyrimidin-2-amine?
N-[[2-[3-(dimethylamino)phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-hydroxy-N-methyl-2H-pyrimidin-2-amine has a molecular weight of 479.61 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(dimethylamino)phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-1-hydroxy-N-methyl-2H-pyrimidin-2-amine is sourced from PubChem (CID 150228567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).