N-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-6-methoxypyridin-3-amine

C24H25N7O2S — CID 130241150

IUPACN-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-6-methoxypyridin-3-amine
SMILES[H]/N=C/c1c(N)cccc1-c1nc(N2CCOCC2)c2sc(CNc3ccc(OC)nc3)cc2n1
InChIInChI=1S/C24H25N7O2S/c1-32-21-6-5-15(13-28-21)27-14-16-11-20-22(34-16)24(31-7-9-33-10-8-31)30-23(29-20)17-3-2-4-19(26)18(17)12-25/h2-6,11-13,25,27H,7-10,14,26H2,1H3/b25-12+
InChIKeyZXFDXZNSBPJOOV-BRJLIKDPSA-N
MW475.58 g/mol
LogP3.79
Rot. Bonds7

About N-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-6-methoxypyridin-3-amine

N-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-6-methoxypyridin-3-amine (PubChem CID 130241150) has the molecular formula C24H25N7O2S and a molecular weight of 475.58 g/mol. Its IUPAC name is N-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-6-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-6-methoxypyridin-3-amine
PubChem CID130241150
Molecular FormulaC24H25N7O2S
Molecular Weight475.58 g/mol
Exact Mass475.18
IUPAC NameN-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-6-methoxypyridin-3-amine
SMILES[H]/N=C/c1c(N)cccc1-c1nc(N2CCOCC2)c2sc(CNc3ccc(OC)nc3)cc2n1
InChIInChI=1S/C24H25N7O2S/c1-32-21-6-5-15(13-28-21)27-14-16-11-20-22(34-16)24(31-7-9-33-10-8-31)30-23(29-20)17-3-2-4-19(26)18(17)12-25/h2-6,11-13,25,27H,7-10,14,26H2,1H3/b25-12+
InChIKeyZXFDXZNSBPJOOV-BRJLIKDPSA-N
XLogP3.79
TPSA122.27 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3R,5S)-5-{2-[4-({6-[(3-fluorophenyl)methoxy]pyridin-3-yl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl morpholine-4-carboxylate
CID 25263248
N4-[3-(dimethylamino)propyl]-6-(6-methoxy-3-pyridyl)-N2-methyl-thieno[3,2-d]pyrimidine-2,4-diamine
CID 76325260
6-[2-(dimethylamino)ethoxy]-N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-2-methylpyrido[3,4-d]pyrimidin-4-amine
CID 146197294
4-[[2-Methyl-4-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethylamino]pyrido[3,4-d]pyrimidin-6-yl]oxymethyl]piperidin-2-one
CID 146197389
N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-2-methyl-6-propoxypyrido[3,4-d]pyrimidin-4-amine
CID 146197468
4-(5-amino-2-pyridin-3-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 145975616
N-[3-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 52931724
[7-(2-Methoxy-6-methylpyridin-3-yl)-2-{[5-methyl-4-(4-methylpiperazin-1-yl)-2-(propan-2-yloxy)phenyl]amino}thieno[3,2-d]pyrimidin-6-yl]methanol
CID 86698058
N-[(4-benzylmorpholin-2-yl)methyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 17554514
6-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 17560474
(5-Methylpyrazin-2-yl)methyl-[2-(o-anisylamino)thieno[3,2-d]pyrimidin-4-yl]amine
CID 49791084
N-(4-methoxyphenyl)-N-methyl-6-(pyridin-3-yl)thieno[3,2-d]pyrimidin-4-amine
CID 44583629

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-6-methoxypyridin-3-amine?
The IUPAC name of N-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-6-methoxypyridin-3-amine (CID 130241150) is N-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-6-methoxypyridin-3-amine.
What is the SMILES notation for N-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-6-methoxypyridin-3-amine?
The canonical SMILES for N-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-6-methoxypyridin-3-amine is [H]/N=C/c1c(N)cccc1-c1nc(N2CCOCC2)c2sc(CNc3ccc(OC)nc3)cc2n1.
What is the InChIKey of N-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-6-methoxypyridin-3-amine?
The InChIKey is ZXFDXZNSBPJOOV-BRJLIKDPSA-N. The full InChI is InChI=1S/C24H25N7O2S/c1-32-21-6-5-15(13-28-21)27-14-16-11-20-22(34-16)24(31-7-9-33-10-8-31)30-23(29-20)17-3-2-4-19(26)18(17)12-25/h2-6,11-13,25,27H,7-10,14,26H2,1H3/b25-12+.
What are the key properties of N-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-6-methoxypyridin-3-amine?
N-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-6-methoxypyridin-3-amine has a molecular weight of 475.58 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-6-methoxypyridin-3-amine is sourced from PubChem (CID 130241150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).