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

C12H16N4OS — CID 103327477

IUPACN-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(N2CCCOCC2)c2ccsc2n1
InChIInChI=1S/C12H16N4OS/c1-13-12-14-10(9-3-8-18-11(9)15-12)16-4-2-6-17-7-5-16/h3,8H,2,4-7H2,1H3,(H,13,14,15)
InChIKeyYDCOVQPQSBKCCG-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.96
Rot. Bonds2

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

N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103327477) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103327477
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(N2CCCOCC2)c2ccsc2n1
InChIInChI=1S/C12H16N4OS/c1-13-12-14-10(9-3-8-18-11(9)15-12)16-4-2-6-17-7-5-16/h3,8H,2,4-7H2,1H3,(H,13,14,15)
InChIKeyYDCOVQPQSBKCCG-UHFFFAOYSA-N
XLogP1.96
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327467
N-methyl-4-(2-methylmorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323884
1-[4-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 103323755
4-(2-ethylmorpholin-4-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103325050
4-(2,2-dimethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327615
4-(3,3-diethylpyrrolidin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103329016
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103325254
4-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 107460148
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103326291
4-(3,4-dimethylpiperazin-1-yl)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327794
N-methyl-4-(2-methylthiomorpholin-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103330394
N-[1-[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 103329723

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine (CID 103327477) is N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine is CNc1nc(N2CCCOCC2)c2ccsc2n1.
What is the InChIKey of N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is YDCOVQPQSBKCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-13-12-14-10(9-3-8-18-11(9)15-12)16-4-2-6-17-7-5-16/h3,8H,2,4-7H2,1H3,(H,13,14,15).
What are the key properties of N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine?
N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 264.35 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103327477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).