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

C11H14N4OS — CID 112750461

IUPAC4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CCCOCC2)c2sccc2n1
InChIInChI=1S/C11H14N4OS/c12-11-13-8-2-7-17-9(8)10(14-11)15-3-1-5-16-6-4-15/h2,7H,1,3-6H2,(H2,12,13,14)
InChIKeyPLPPPBIOYDDKFE-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.50
Rot. Bonds1

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

4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 112750461) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID112750461
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CCCOCC2)c2sccc2n1
InChIInChI=1S/C11H14N4OS/c12-11-13-8-2-7-17-9(8)10(14-11)15-3-1-5-16-6-4-15/h2,7H,1,3-6H2,(H2,12,13,14)
InChIKeyPLPPPBIOYDDKFE-UHFFFAOYSA-N
XLogP1.50
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-bromophenyl)sulfanylthieno[3,2-d]pyrimidin-4-yl]morpholine
CID 1479967
N'-ethyl-N'-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)ethane-1,2-diamine
CID 154167582
4-(2-prop-2-enylsulfanylthieno[3,2-d]pyrimidin-4-yl)morpholine
CID 3759901
4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]thieno[3,2-d]pyrimidin-2-amine
CID 171446303
4-[2-(2-methylbenzimidazol-1-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 59593144
4-[2-(3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 154618052
2-phenyl-4-pyrrolidin-1-ylthieno[3,2-d]pyrimidine
CID 3793347
7-bromo-4-morpholin-4-ylquinazolin-2-amine
CID 133057180
N-[(E)-(4-methylphenyl)methylideneamino]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-amine
CID 71557963
4-[2-methyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]morpholine
CID 155981619
4-[2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 164612049
4-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 172758821

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine (CID 112750461) is 4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine is Nc1nc(N2CCCOCC2)c2sccc2n1.
What is the InChIKey of 4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is PLPPPBIOYDDKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c12-11-13-8-2-7-17-9(8)10(14-11)15-3-1-5-16-6-4-15/h2,7H,1,3-6H2,(H2,12,13,14).
What are the key properties of 4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine?
4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 250.33 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-oxazepan-4-yl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 112750461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).