N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine

C19H20N6S2 — CID 44632567

IUPACN-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@@H]1CCN(c2ncnc3sccc23)C[C@@H]1N(C)c1ncnc2sccc12
InChIInChI=1S/C19H20N6S2/c1-12-3-6-25(17-14-5-8-27-19(14)23-11-21-17)9-15(12)24(2)16-13-4-7-26-18(13)22-10-20-16/h4-5,7-8,10-12,15H,3,6,9H2,1-2H3/t12-,15+/m1/s1
InChIKeyOPMNRSSBJOIJMC-DOMZBBRYSA-N
MW396.55 g/mol
LogP4.05
Rot. Bonds3

About N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine

N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 44632567) has the molecular formula C19H20N6S2 and a molecular weight of 396.55 g/mol. Its IUPAC name is N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID44632567
Molecular FormulaC19H20N6S2
Molecular Weight396.55 g/mol
Exact Mass396.12
IUPAC NameN-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESC[C@@H]1CCN(c2ncnc3sccc23)C[C@@H]1N(C)c1ncnc2sccc12
InChIInChI=1S/C19H20N6S2/c1-12-3-6-25(17-14-5-8-27-19(14)23-11-21-17)9-15(12)24(2)16-13-4-7-26-18(13)22-10-20-16/h4-5,7-8,10-12,15H,3,6,9H2,1-2H3/t12-,15+/m1/s1
InChIKeyOPMNRSSBJOIJMC-DOMZBBRYSA-N
XLogP4.05
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 154582771
1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 18074911
4-[3-(chloromethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 63390055
(3R)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-ol
CID 9283193
4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]thieno[2,3-d]pyrimidine
CID 11936596
4-[3-(bromomethyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 80679387
N-methyl-N-[4-methyl-1-(1,3-thiazol-2-yl)piperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 22282985
1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63030992
2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol
CID 39817579
N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
CID 163346392
N-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 166602913
4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 154581116

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine (CID 44632567) is N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine is C[C@@H]1CCN(c2ncnc3sccc23)C[C@@H]1N(C)c1ncnc2sccc12.
What is the InChIKey of N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OPMNRSSBJOIJMC-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H20N6S2/c1-12-3-6-25(17-14-5-8-27-19(14)23-11-21-17)9-15(12)24(2)16-13-4-7-26-18(13)22-10-20-16/h4-5,7-8,10-12,15H,3,6,9H2,1-2H3/t12-,15+/m1/s1.
What are the key properties of N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine?
N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 396.55 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R,4R)-4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-3-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 44632567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).