7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine

C13H19N3S — CID 102686676

IUPAC7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCCCC(C)(C)Nc1ncnc2c(C)csc12
InChIInChI=1S/C13H19N3S/c1-5-6-13(3,4)16-12-11-10(14-8-15-12)9(2)7-17-11/h7-8H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyXOUWYTDMHALTOT-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.99
Rot. Bonds4

About 7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine

7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686676) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID102686676
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine
SMILESCCCC(C)(C)Nc1ncnc2c(C)csc12
InChIInChI=1S/C13H19N3S/c1-5-6-13(3,4)16-12-11-10(14-8-15-12)9(2)7-17-11/h7-8H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyXOUWYTDMHALTOT-UHFFFAOYSA-N
XLogP3.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylbutan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687337
N-[2-(chloromethyl)-2-ethylbutyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 114164376
2,2-dimethyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 106142308
N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686940
7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 102686212
N-(1-chloro-2-phenylpropan-2-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102687350
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 102686736
1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
N-(3-butoxypropyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686687
N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686176
7-methyl-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686243
N-but-3-enyl-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686671

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine (CID 102686676) is 7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine is CCCC(C)(C)Nc1ncnc2c(C)csc12.
What is the InChIKey of 7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is XOUWYTDMHALTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-5-6-13(3,4)16-12-11-10(14-8-15-12)9(2)7-17-11/h7-8H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of 7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine?
7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 249.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).