5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

C21H24N8OS2 — CID 58234015

IUPAC5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCc1csc(CN(C)Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)n1
InChIInChI=1S/C21H24N8OS2/c1-13-12-31-17(25-13)11-28(2)10-15-7-16-18(32-15)20(29-3-5-30-6-4-29)27-19(26-16)14-8-23-21(22)24-9-14/h7-9,12H,3-6,10-11H2,1-2H3,(H2,22,23,24)
InChIKeyGUABJXDAOMDLDO-UHFFFAOYSA-N
MW468.61 g/mol
LogP2.96
Rot. Bonds6

About 5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 58234015) has the molecular formula C21H24N8OS2 and a molecular weight of 468.61 g/mol. Its IUPAC name is 5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
PubChem CID58234015
Molecular FormulaC21H24N8OS2
Molecular Weight468.61 g/mol
Exact Mass468.15
IUPAC Name5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCc1csc(CN(C)Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)n1
InChIInChI=1S/C21H24N8OS2/c1-13-12-31-17(25-13)11-28(2)10-15-7-16-18(32-15)20(29-3-5-30-6-4-29)27-19(26-16)14-8-23-21(22)24-9-14/h7-9,12H,3-6,10-11H2,1-2H3,(H2,22,23,24)
InChIKeyGUABJXDAOMDLDO-UHFFFAOYSA-N
XLogP2.96
TPSA106.18 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.61
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (CID 58234015) is 5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is Cc1csc(CN(C)Cc2cc3nc(-c4cnc(N)nc4)nc(N4CCOCC4)c3s2)n1.
What is the InChIKey of 5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is GUABJXDAOMDLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8OS2/c1-13-12-31-17(25-13)11-28(2)10-15-7-16-18(32-15)20(29-3-5-30-6-4-29)27-19(26-16)14-8-23-21(22)24-9-14/h7-9,12H,3-6,10-11H2,1-2H3,(H2,22,23,24).
What are the key properties of 5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 468.61 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 58234015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).