N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine

C24H28N8O2S — CID 117089844

IUPACN-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine
SMILESc1cc(-n2cnc3c(NCCN4CCOCC4)nc(-c4ccc(N5CCOCC5)nc4)nc32)cs1
InChIInChI=1S/C24H28N8O2S/c1-2-20(31-8-12-34-13-9-31)26-15-18(1)22-28-23(25-4-5-30-6-10-33-11-7-30)21-24(29-22)32(17-27-21)19-3-14-35-16-19/h1-3,14-17H,4-13H2,(H,25,28,29)
InChIKeyDNHUMHPVQHMGTE-UHFFFAOYSA-N
MW492.61 g/mol
LogP2.52
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine

N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine (PubChem CID 117089844) has the molecular formula C24H28N8O2S and a molecular weight of 492.61 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine
PubChem CID117089844
Molecular FormulaC24H28N8O2S
Molecular Weight492.61 g/mol
Exact Mass492.21
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine
SMILESc1cc(-n2cnc3c(NCCN4CCOCC4)nc(-c4ccc(N5CCOCC5)nc4)nc32)cs1
InChIInChI=1S/C24H28N8O2S/c1-2-20(31-8-12-34-13-9-31)26-15-18(1)22-28-23(25-4-5-30-6-10-33-11-7-30)21-24(29-22)32(17-27-21)19-3-14-35-16-19/h1-3,14-17H,4-13H2,(H,25,28,29)
InChIKeyDNHUMHPVQHMGTE-UHFFFAOYSA-N
XLogP2.52
TPSA93.46 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.61
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

4-Methyl-5-(6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Ylthieno[3,2-D]pyrimidin-2-Yl)pyrimidin-2-Amine
CID 24946706
5-(6-{[4-(Methylsulfonyl)piperazin-1-Yl]methyl}-4-Morpholin-4-Ylthieno[3,2-D]pyrimidin-2-Yl)pyridin-2-Amine
CID 44620965
N2-[(1s)-1-(5-Fluoropyrimidin-2-Yl)ethyl]-7-Methyl-N4-(1-Methylimidazol-4-Yl)thieno[3,2-D]pyrimidine-2,4-Diamine
CID 45275254
5-(6-(2-Aminopropan-2-yl)-4-morpholinothieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109014
5-(4-Morpholino-thieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 25109202
mTOR inhibitor-13
CID 46227572
1-(4-(4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl)phenyl)-3-(pyridin-4-yl)urea
CID 46227579
N-((2-(2-aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)-N-methylmethanesulfonamide
CID 46886360
2-Methyl-2-(4-((4-morpholino-2-(1h-pyrrolo[2,3-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)propanamide
CID 49834039
N2-(1-Acryloyl-4-piperidinyl)-6-(4-morpholinylmethyl)-N4-[1,3]thiazolo[5,4-b]pyridin-2-yl-2,4-pyrimidinediamine (3)
CID 56940983
2-(1H-Indol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
CID 11634899
2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(6-thiophen-3-yl-3-pyridinyl)methyl]purine-2,6-diamine
CID 21362604

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine (CID 117089844) is N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine is c1cc(-n2cnc3c(NCCN4CCOCC4)nc(-c4ccc(N5CCOCC5)nc4)nc32)cs1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine?
The InChIKey is DNHUMHPVQHMGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2S/c1-2-20(31-8-12-34-13-9-31)26-15-18(1)22-28-23(25-4-5-30-6-10-33-11-7-30)21-24(29-22)32(17-27-21)19-3-14-35-16-19/h1-3,14-17H,4-13H2,(H,25,28,29).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine?
N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine has a molecular weight of 492.61 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(6-morpholin-4-yl-3-pyridinyl)-9-thiophen-3-ylpurin-6-amine is sourced from PubChem (CID 117089844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).