2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine

C13H20N4S — CID 106142308

IUPAC2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
SMILESCc1csc2c(NCC(C)(C)CCN)ncnc12
InChIInChI=1S/C13H20N4S/c1-9-6-18-11-10(9)16-8-17-12(11)15-7-13(2,3)4-5-14/h6,8H,4-5,7,14H2,1-3H3,(H,15,16,17)
InChIKeyFCUWWQAEZVKOHI-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.79
Rot. Bonds5

About 2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine

2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine (PubChem CID 106142308) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
PubChem CID106142308
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
SMILESCc1csc2c(NCC(C)(C)CCN)ncnc12
InChIInChI=1S/C13H20N4S/c1-9-6-18-11-10(9)16-8-17-12(11)15-7-13(2,3)4-5-14/h6,8H,4-5,7,14H2,1-3H3,(H,15,16,17)
InChIKeyFCUWWQAEZVKOHI-UHFFFAOYSA-N
XLogP2.79
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686176
N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 114164376
2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 102687379
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
2-methyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102687370
7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686676
N-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687337
N-[[2-(aminomethyl)phenyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686834
N-[(4-chlorophenyl)methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686195
N-[[2-(aminomethyl)cyclohexyl]methyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687372
7-methyl-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686243
N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686940

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine?
The IUPAC name of 2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine (CID 106142308) is 2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine.
What is the SMILES notation for 2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine?
The canonical SMILES for 2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine is Cc1csc2c(NCC(C)(C)CCN)ncnc12.
What is the InChIKey of 2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine?
The InChIKey is FCUWWQAEZVKOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-9-6-18-11-10(9)16-8-17-12(11)15-7-13(2,3)4-5-14/h6,8H,4-5,7,14H2,1-3H3,(H,15,16,17).
What are the key properties of 2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine?
2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine has a molecular weight of 264.40 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine is sourced from PubChem (CID 106142308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).