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

C20H26N4O2S — CID 43025714

IUPAC5,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(C(C)Nc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)o1
InChIInChI=1S/C20H26N4O2S/c1-12-5-6-16(26-12)14(3)21-19-18-13(2)15(4)27-20(18)23-17(22-19)11-24-7-9-25-10-8-24/h5-6,14H,7-11H2,1-4H3,(H,21,22,23)
InChIKeyCLTRYRKFPCQVRH-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.21
Rot. Bonds5

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

5,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 43025714) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 5,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID43025714
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name5,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(C(C)Nc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)o1
InChIInChI=1S/C20H26N4O2S/c1-12-5-6-16(26-12)14(3)21-19-18-13(2)15(4)27-20(18)23-17(22-19)11-24-7-9-25-10-8-24/h5-6,14H,7-11H2,1-4H3,(H,21,22,23)
InChIKeyCLTRYRKFPCQVRH-UHFFFAOYSA-N
XLogP4.21
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18074914
(2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 94094742
5,6-dimethyl-N-(4-methylphenyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9103933
N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9281746
5,6-dimethyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18074902
(2R)-4-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol
CID 30592024
5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 31055335
N-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 26455526
N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 18075011
trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 133495355
5,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 60502717
N'-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-N-pyridin-2-ylethane-1,2-diamine
CID 37104729

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 43025714) is 5,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1ccc(C(C)Nc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)o1.
What is the InChIKey of 5,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CLTRYRKFPCQVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-12-5-6-16(26-12)14(3)21-19-18-13(2)15(4)27-20(18)23-17(22-19)11-24-7-9-25-10-8-24/h5-6,14H,7-11H2,1-4H3,(H,21,22,23).
What are the key properties of 5,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 386.52 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43025714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).