5,6-dimethyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C14H20N4O3S2 — CID 72875701

IUPAC5,6-dimethyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCC3CN(S(C)(=O)=O)CCO3)c2c1C
InChIInChI=1S/C14H20N4O3S2/c1-9-10(2)22-14-12(9)13(16-8-17-14)15-6-11-7-18(4-5-21-11)23(3,19)20/h8,11H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyZCCQJMXFAPFFEC-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.38
Rot. Bonds4

About 5,6-dimethyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 72875701) has the molecular formula C14H20N4O3S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID72875701
Molecular FormulaC14H20N4O3S2
Molecular Weight356.47 g/mol
Exact Mass356.10
IUPAC Name5,6-dimethyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(NCC3CN(S(C)(=O)=O)CCO3)c2c1C
InChIInChI=1S/C14H20N4O3S2/c1-9-10(2)22-14-12(9)13(16-8-17-14)15-6-11-7-18(4-5-21-11)23(3,19)20/h8,11H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyZCCQJMXFAPFFEC-UHFFFAOYSA-N
XLogP1.38
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 78805469
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 7831341
N-(cyclopropylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 43112058
2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 97119963
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 75357573
5,6-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 79561295
1,3-dimethyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97444472
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 39081648
2-(bromomethyl)-4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 81210775
1-(azepan-1-yl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081542
[5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 45251545
6-hydrazinyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine
CID 80922854

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 72875701) is 5,6-dimethyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(NCC3CN(S(C)(=O)=O)CCO3)c2c1C.
What is the InChIKey of 5,6-dimethyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZCCQJMXFAPFFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S2/c1-9-10(2)22-14-12(9)13(16-8-17-14)15-6-11-7-18(4-5-21-11)23(3,19)20/h8,11H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 5,6-dimethyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 356.47 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 72875701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).