6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine

C19H20N6S2 — CID 133408657

IUPAC6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCCN(c4ncnc5sc(C)cc45)CC3)ncnc2s1
InChIInChI=1S/C19H20N6S2/c1-12-8-14-16(20-10-22-18(14)26-12)24-4-3-5-25(7-6-24)17-15-9-13(2)27-19(15)23-11-21-17/h8-11H,3-7H2,1-2H3
InChIKeyOMJGOSYBJMUWSW-UHFFFAOYSA-N
MW396.55 g/mol
LogP4.03
Rot. Bonds2

About 6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine

6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 133408657) has the molecular formula C19H20N6S2 and a molecular weight of 396.55 g/mol. Its IUPAC name is 6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
PubChem CID133408657
Molecular FormulaC19H20N6S2
Molecular Weight396.55 g/mol
Exact Mass396.12
IUPAC Name6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCCN(c4ncnc5sc(C)cc45)CC3)ncnc2s1
InChIInChI=1S/C19H20N6S2/c1-12-8-14-16(20-10-22-18(14)26-12)24-4-3-5-25(7-6-24)17-15-9-13(2)27-19(15)23-11-21-17/h8-11H,3-7H2,1-2H3
InChIKeyOMJGOSYBJMUWSW-UHFFFAOYSA-N
XLogP4.03
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine (CID 133408657) is 6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine is Cc1cc2c(N3CCCN(c4ncnc5sc(C)cc45)CC3)ncnc2s1.
What is the InChIKey of 6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is OMJGOSYBJMUWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6S2/c1-12-8-14-16(20-10-22-18(14)26-12)24-4-3-5-25(7-6-24)17-15-9-13(2)27-19(15)23-11-21-17/h8-11H,3-7H2,1-2H3.
What are the key properties of 6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine?
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 396.55 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133408657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).