7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine

C12H17N3S — CID 102686212

IUPAC7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCC(C)Nc1ncnc2c(C)csc12
InChIInChI=1S/C12H17N3S/c1-4-5-9(3)15-12-11-10(13-7-14-12)8(2)6-16-11/h6-7,9H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyISNJBAKJBKRAQL-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.60
Rot. Bonds4

About 7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine

7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 102686212) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
PubChem CID102686212
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCCCC(C)Nc1ncnc2c(C)csc12
InChIInChI=1S/C12H17N3S/c1-4-5-9(3)15-12-11-10(13-7-14-12)8(2)6-16-11/h6-7,9H,4-5H2,1-3H3,(H,13,14,15)
InChIKeyISNJBAKJBKRAQL-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 102686862
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propane-1,3-diol
CID 102686545
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]butan-1-ol
CID 102686263
7-methyl-N-(1-morpholin-4-ylpropan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686382
7-methyl-N-[1-(4-methylphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686398
N-(1-chloro-4,4-dimethylpentan-3-yl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 106354476
N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine
CID 43236191
N-methyl-2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]propanamide
CID 102686363
7-methyl-N-(2-methylpentan-2-yl)thieno[3,2-d]pyrimidin-4-amine
CID 102686676
N,2-dimethyl-N'-(7-methylthieno[3,2-d]pyrimidin-4-yl)propane-1,3-diamine
CID 102686940
N-[1-(4-aminophenyl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686965
2-methyl-N-(7-methylthieno[3,2-d]pyrimidin-4-yl)butane-1,4-diamine
CID 102687379

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine (CID 102686212) is 7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine is CCCC(C)Nc1ncnc2c(C)csc12.
What is the InChIKey of 7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ISNJBAKJBKRAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-4-5-9(3)15-12-11-10(13-7-14-12)8(2)6-16-11/h6-7,9H,4-5H2,1-3H3,(H,13,14,15).
What are the key properties of 7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine?
7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 235.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-pentan-2-ylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 102686212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).