2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine

C11H16N4S — CID 65035565

IUPAC2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCc1cc2c(NCC(C)CN)ncnc2s1
InChIInChI=1S/C11H16N4S/c1-7(4-12)5-13-10-9-3-8(2)16-11(9)15-6-14-10/h3,6-7H,4-5,12H2,1-2H3,(H,13,14,15)
InChIKeyXJCXNFHCJSTFPJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.01
Rot. Bonds4

About 2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine

2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine (PubChem CID 65035565) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
PubChem CID65035565
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
SMILESCc1cc2c(NCC(C)CN)ncnc2s1
InChIInChI=1S/C11H16N4S/c1-7(4-12)5-13-10-9-3-8(2)16-11(9)15-6-14-10/h3,6-7H,4-5,12H2,1-2H3,(H,13,14,15)
InChIKeyXJCXNFHCJSTFPJ-UHFFFAOYSA-N
XLogP2.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of 2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine (CID 65035565) is 2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for 2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine is Cc1cc2c(NCC(C)CN)ncnc2s1.
What is the InChIKey of 2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is XJCXNFHCJSTFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7(4-12)5-13-10-9-3-8(2)16-11(9)15-6-14-10/h3,6-7H,4-5,12H2,1-2H3,(H,13,14,15).
What are the key properties of 2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine?
2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 236.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 65035565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).