5-[7-methyl-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

C25H30N8OS2 — CID 59829269

IUPAC5-[7-methyl-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCc1c(-c2csc(CN3CCN(C)CC3)c2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C25H30N8OS2/c1-16-20-22(36-21(16)17-11-19(35-15-17)14-32-5-3-31(2)4-6-32)24(33-7-9-34-10-8-33)30-23(29-20)18-12-27-25(26)28-13-18/h11-13,15H,3-10,14H2,1-2H3,(H2,26,27,28)
InChIKeyLNDHDXQQWWHANQ-UHFFFAOYSA-N
MW522.70 g/mol
LogP3.35
Rot. Bonds5

About 5-[7-methyl-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

5-[7-methyl-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 59829269) has the molecular formula C25H30N8OS2 and a molecular weight of 522.70 g/mol. Its IUPAC name is 5-[7-methyl-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-methyl-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
PubChem CID59829269
Molecular FormulaC25H30N8OS2
Molecular Weight522.70 g/mol
Exact Mass522.20
IUPAC Name5-[7-methyl-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCc1c(-c2csc(CN3CCN(C)CC3)c2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C25H30N8OS2/c1-16-20-22(36-21(16)17-11-19(35-15-17)14-32-5-3-31(2)4-6-32)24(33-7-9-34-10-8-33)30-23(29-20)18-12-27-25(26)28-13-18/h11-13,15H,3-10,14H2,1-2H3,(H2,26,27,28)
InChIKeyLNDHDXQQWWHANQ-UHFFFAOYSA-N
XLogP3.35
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.70
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5-[7-methyl-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-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-[7-methyl-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[7-methyl-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (CID 59829269) is 5-[7-methyl-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-methyl-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-methyl-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is Cc1c(-c2csc(CN3CCN(C)CC3)c2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12.
What is the InChIKey of 5-[7-methyl-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is LNDHDXQQWWHANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8OS2/c1-16-20-22(36-21(16)17-11-19(35-15-17)14-32-5-3-31(2)4-6-32)24(33-7-9-34-10-8-33)30-23(29-20)18-12-27-25(26)28-13-18/h11-13,15H,3-10,14H2,1-2H3,(H2,26,27,28).
What are the key properties of 5-[7-methyl-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
5-[7-methyl-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 522.70 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-methyl-6-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 59829269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).