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

C11H13N3OS2 — CID 104576554

IUPACN-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESO=S1CCC(Nc2ncnc3sccc23)CC1
InChIInChI=1S/C11H13N3OS2/c15-17-5-2-8(3-6-17)14-10-9-1-4-16-11(9)13-7-12-10/h1,4,7-8H,2-3,5-6H2,(H,12,13,14)
InChIKeyJVJGMTLCSMOUOF-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.01
Rot. Bonds2

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

N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 104576554) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID104576554
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC NameN-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESO=S1CCC(Nc2ncnc3sccc23)CC1
InChIInChI=1S/C11H13N3OS2/c15-17-5-2-8(3-6-17)14-10-9-1-4-16-11(9)13-7-12-10/h1,4,7-8H,2-3,5-6H2,(H,12,13,14)
InChIKeyJVJGMTLCSMOUOF-UHFFFAOYSA-N
XLogP2.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
N-(1-oxothian-4-yl)quinazolin-4-amine
CID 104576518
N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133399288
N-(3-methylsulfanylcyclopentyl)thieno[2,3-d]pyrimidin-4-amine
CID 103704155
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 133336179
N-(1-benzylpiperidin-4-yl)thieno[2,3-d]pyrimidin-4-amine;ethane
CID 90925941
1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine
CID 68791212
N-(3-azabicyclo[3.1.0]hexan-6-yl)thieno[2,3-d]pyrimidin-4-amine
CID 43599139
N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)thieno[2,3-d]pyrimidin-4-amine
CID 71847247
N-(cyclopropylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 43112087
5-(thieno[2,3-d]pyrimidin-4-ylamino)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 133406930
phenyl-[(3S)-3-(thieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 125444803

Frequently Asked Questions

What is the IUPAC name of N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine (CID 104576554) is N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine is O=S1CCC(Nc2ncnc3sccc23)CC1.
What is the InChIKey of N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JVJGMTLCSMOUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c15-17-5-2-8(3-6-17)14-10-9-1-4-16-11(9)13-7-12-10/h1,4,7-8H,2-3,5-6H2,(H,12,13,14).
What are the key properties of N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine?
N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxothian-4-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 104576554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).