N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine

C14H17N3OS2 — CID 71847247

IUPACN-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(NC2CCOC3(CCSC3)C2)c2ccsc2n1
InChIInChI=1S/C14H17N3OS2/c1-4-18-14(3-6-19-8-14)7-10(1)17-12-11-2-5-20-13(11)16-9-15-12/h2,5,9-10H,1,3-4,6-8H2,(H,15,16,17)
InChIKeyVXUJJNPBNNVUJR-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.16
Rot. Bonds2

About N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine

N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 71847247) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID71847247
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC NameN-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESc1nc(NC2CCOC3(CCSC3)C2)c2ccsc2n1
InChIInChI=1S/C14H17N3OS2/c1-4-18-14(3-6-19-8-14)7-10(1)17-12-11-2-5-20-13(11)16-9-15-12/h2,5,9-10H,1,3-4,6-8H2,(H,15,16,17)
InChIKeyVXUJJNPBNNVUJR-UHFFFAOYSA-N
XLogP3.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
5-bromo-N-[(5R,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97235132
N-(4-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897657
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrazin-2-amine
CID 75482481
2-[[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]amino]pyridine-3-carbonitrile
CID 97235146
N-(4-bromophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897787
N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 104576554
N-(4-fluoro-2-iodophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903933
(5R,9S)-N-[(1S)-1-thieno[3,2-b]pyridin-6-ylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 99108503
N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898248
N-(4-ethylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897869
N-(3-methylphenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79897455

Frequently Asked Questions

What is the IUPAC name of N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine (CID 71847247) is N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine is c1nc(NC2CCOC3(CCSC3)C2)c2ccsc2n1.
What is the InChIKey of N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VXUJJNPBNNVUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-4-18-14(3-6-19-8-14)7-10(1)17-12-11-2-5-20-13(11)16-9-15-12/h2,5,9-10H,1,3-4,6-8H2,(H,15,16,17).
What are the key properties of N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine?
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 307.44 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 71847247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).