N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C24H32N4O3S — CID 4811315

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CCN(C)c2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1OC
InChIInChI=1S/C24H32N4O3S/c1-16-17(2)32-24-22(16)23(25-21(26-24)15-28-10-12-31-13-11-28)27(3)9-8-18-6-7-19(29-4)20(14-18)30-5/h6-7,14H,8-13,15H2,1-5H3
InChIKeyDXISDMFXBLHLNW-UHFFFAOYSA-N
MW456.61 g/mol
LogP3.84
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 4811315) has the molecular formula C24H32N4O3S and a molecular weight of 456.61 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID4811315
Molecular FormulaC24H32N4O3S
Molecular Weight456.61 g/mol
Exact Mass456.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(CCN(C)c2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1OC
InChIInChI=1S/C24H32N4O3S/c1-16-17(2)32-24-22(16)23(25-21(26-24)15-28-10-12-31-13-11-28)27(3)9-8-18-6-7-19(29-4)20(14-18)30-5/h6-7,14H,8-13,15H2,1-5H3
InChIKeyDXISDMFXBLHLNW-UHFFFAOYSA-N
XLogP3.84
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2-methoxyphenoxy)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 55829601
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 46557567
N,5,6-trimethyl-N-[(2-methylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18079574
2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 18197486
2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 55346821
N-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 2686604
N-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 26455526
5,6-dimethyl-N-(4-methylphenyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9103933
N,5,6-trimethyl-2-(morpholin-4-ylmethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 55387484
4-[(5,6-dimethyl-4-pyridin-3-yloxythieno[2,3-d]pyrimidin-2-yl)methyl]morpholine
CID 4809338
[4-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-methoxyphenyl]methanol
CID 9250923
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-10-(morpholin-4-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 27632425

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 4811315) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is COc1ccc(CCN(C)c2nc(CN3CCOCC3)nc3sc(C)c(C)c23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DXISDMFXBLHLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3S/c1-16-17(2)32-24-22(16)23(25-21(26-24)15-28-10-12-31-13-11-28)27(3)9-8-18-6-7-19(29-4)20(14-18)30-5/h6-7,14H,8-13,15H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 456.61 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5,6-trimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4811315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).