1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine

C13H18N4S — CID 56897575

IUPAC1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine
SMILESCc1nc(N2CCCC(N)CC2)c2ccsc2n1
InChIInChI=1S/C13H18N4S/c1-9-15-12(11-5-8-18-13(11)16-9)17-6-2-3-10(14)4-7-17/h5,8,10H,2-4,6-7,14H2,1H3
InChIKeySXIVNKKNXHDEST-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.32
Rot. Bonds1

About 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine

1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine (PubChem CID 56897575) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine.

Molecular Properties

Compound Name1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine
PubChem CID56897575
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine
SMILESCc1nc(N2CCCC(N)CC2)c2ccsc2n1
InChIInChI=1S/C13H18N4S/c1-9-15-12(11-5-8-18-13(11)16-9)17-6-2-3-10(14)4-7-17/h5,8,10H,2-4,6-7,14H2,1H3
InChIKeySXIVNKKNXHDEST-UHFFFAOYSA-N
XLogP2.32
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azepan-1-yl)-2-methylthieno[2,3-d]pyrimidine
CID 2238996
2-methyl-4-(4-thiomorpholin-4-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 72928054
2-methyl-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 95199685
4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323791
methyl 2-[1-(2-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]acetate
CID 72839733
4-(azetidin-1-yl)-2-chlorothieno[2,3-d]pyrimidine
CID 130547969
2-methyl-4-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 135104009
(1S,5R)-6-(cyclobutylmethyl)-3-(2-methylthieno[2,3-d]pyrimidin-4-yl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72871408
1-(2-methylthieno[2,3-d]pyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
CID 135103015
(3S)-1-thieno[2,3-b]pyridin-4-ylpiperidin-3-amine
CID 141411026
4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327459
[4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103334986

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine?
The IUPAC name of 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine (CID 56897575) is 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine.
What is the SMILES notation for 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine?
The canonical SMILES for 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine is Cc1nc(N2CCCC(N)CC2)c2ccsc2n1.
What is the InChIKey of 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine?
The InChIKey is SXIVNKKNXHDEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9-15-12(11-5-8-18-13(11)16-9)17-6-2-3-10(14)4-7-17/h5,8,10H,2-4,6-7,14H2,1H3.
What are the key properties of 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine?
1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine has a molecular weight of 262.38 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthieno[2,3-d]pyrimidin-4-yl)azepan-4-amine is sourced from PubChem (CID 56897575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).