6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine

C14H20N4S — CID 103327825

IUPAC6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(N3CCCC(C)CC3)nc(N)nc2s1
InChIInChI=1S/C14H20N4S/c1-9-4-3-6-18(7-5-9)12-11-8-10(2)19-13(11)17-14(15)16-12/h8-9H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyDDRFYMOLPAVKKS-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.21
Rot. Bonds1

About 6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine

6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103327825) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103327825
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(N3CCCC(C)CC3)nc(N)nc2s1
InChIInChI=1S/C14H20N4S/c1-9-4-3-6-18(7-5-9)12-11-8-10(2)19-13(11)17-14(15)16-12/h8-9H,3-7H2,1-2H3,(H2,15,16,17)
InChIKeyDDRFYMOLPAVKKS-UHFFFAOYSA-N
XLogP3.21
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323793
[6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103333721
4-(4,4-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327461
1-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 103323254
6-methyl-4-(3-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103329856
6-methyl-4-(3-propylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103329876
4-[3-(diethylamino)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327595
6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103328647
1-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 103323978
4-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 103330831
4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323791
4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 130547955

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine (CID 103327825) is 6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine is Cc1cc2c(N3CCCC(C)CC3)nc(N)nc2s1.
What is the InChIKey of 6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is DDRFYMOLPAVKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-9-4-3-6-18(7-5-9)12-11-8-10(2)19-13(11)17-14(15)16-12/h8-9H,3-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine?
6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103327825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).