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

C13H18N4OS — CID 62974588

IUPACN-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN2CCCOCC2)nc2sccc12
InChIInChI=1S/C13H18N4OS/c1-14-12-10-3-8-19-13(10)16-11(15-12)9-17-4-2-6-18-7-5-17/h3,8H,2,4-7,9H2,1H3,(H,14,15,16)
InChIKeyCDHCNVDZAFPOTF-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.96
Rot. Bonds3

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

N-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62974588) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62974588
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CN2CCCOCC2)nc2sccc12
InChIInChI=1S/C13H18N4OS/c1-14-12-10-3-8-19-13(10)16-11(15-12)9-17-4-2-6-18-7-5-17/h3,8H,2,4-7,9H2,1H3,(H,14,15,16)
InChIKeyCDHCNVDZAFPOTF-UHFFFAOYSA-N
XLogP1.96
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62183290
1-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-3-ol
CID 62208262
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62209339
1-[4-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]piperazin-1-yl]ethanone
CID 62178045
2-(azocan-1-ylmethyl)-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62182349
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63972968
N-methyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 114539498
2-(azepan-1-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62184614
2-[(3,4-dimethylpiperazin-1-yl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63635807
N-ethyl-2-(1,4-thiazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62207945
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63025803
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 102966683

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 62974588) is N-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CNc1nc(CN2CCCOCC2)nc2sccc12.
What is the InChIKey of N-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CDHCNVDZAFPOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-14-12-10-3-8-19-13(10)16-11(15-12)9-17-4-2-6-18-7-5-17/h3,8H,2,4-7,9H2,1H3,(H,14,15,16).
What are the key properties of N-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 278.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62974588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).