N-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C17H26N4O2S — CID 18074914

IUPACN-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOCC(C)Nc1nc(CN2CCOCC2)nc2sc(C)c(C)c12
InChIInChI=1S/C17H26N4O2S/c1-11(10-22-4)18-16-15-12(2)13(3)24-17(15)20-14(19-16)9-21-5-7-23-8-6-21/h11H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyAOWKYDDDKACEJU-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.59
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18074914) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18074914
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC NameN-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOCC(C)Nc1nc(CN2CCOCC2)nc2sc(C)c(C)c12
InChIInChI=1S/C17H26N4O2S/c1-11(10-22-4)18-16-15-12(2)13(3)24-17(15)20-14(19-16)9-21-5-7-23-8-6-21/h11H,5-10H2,1-4H3,(H,18,19,20)
InChIKeyAOWKYDDDKACEJU-UHFFFAOYSA-N
XLogP2.59
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 18074914) is N-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is COCC(C)Nc1nc(CN2CCOCC2)nc2sc(C)c(C)c12.
What is the InChIKey of N-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AOWKYDDDKACEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-11(10-22-4)18-16-15-12(2)13(3)24-17(15)20-14(19-16)9-21-5-7-23-8-6-21/h11H,5-10H2,1-4H3,(H,18,19,20).
What are the key properties of N-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 350.49 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18074914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).