1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine

C16H16N4S — CID 116650383

IUPAC1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
SMILESNc1ccc2c(c1)CCCC2Nc1ncnc2sccc12
InChIInChI=1S/C16H16N4S/c17-11-4-5-12-10(8-11)2-1-3-14(12)20-15-13-6-7-21-16(13)19-9-18-15/h4-9,14H,1-3,17H2,(H,18,19,20)
InChIKeyIWSVEIMUGQYSQF-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.76
Rot. Bonds2

About 1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine

1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine (PubChem CID 116650383) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine.

Molecular Properties

Compound Name1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
PubChem CID116650383
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
SMILESNc1ccc2c(c1)CCCC2Nc1ncnc2sccc12
InChIInChI=1S/C16H16N4S/c17-11-4-5-12-10(8-11)2-1-3-14(12)20-15-13-6-7-21-16(13)19-9-18-15/h4-9,14H,1-3,17H2,(H,18,19,20)
InChIKeyIWSVEIMUGQYSQF-UHFFFAOYSA-N
XLogP3.76
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650402
4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,7-diamine
CID 65336937
4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)quinazoline-4,6-diamine
CID 64588910
N-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 13038304
1-N-(5-chloropyrimidin-2-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650411
1-N-(4-bromo-1,3-thiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650283
1-[8-fluoro-5-(thieno[2,3-d]pyrimidin-4-ylamino)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]ethanone
CID 133475966
(5R)-5-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 162618789
1-N-(5-methoxy-2-methyl-4-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 106660945
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]thieno[2,3-d]pyrimidin-4-amine
CID 94181560
6-chloro-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidine-4,5-diamine
CID 63024131
1-N-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 116650362

Frequently Asked Questions

What is the IUPAC name of 1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The IUPAC name of 1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine (CID 116650383) is 1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine.
What is the SMILES notation for 1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The canonical SMILES for 1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine is Nc1ccc2c(c1)CCCC2Nc1ncnc2sccc12.
What is the InChIKey of 1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
The InChIKey is IWSVEIMUGQYSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c17-11-4-5-12-10(8-11)2-1-3-14(12)20-15-13-6-7-21-16(13)19-9-18-15/h4-9,14H,1-3,17H2,(H,18,19,20).
What are the key properties of 1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine?
1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine has a molecular weight of 296.40 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-thieno[2,3-d]pyrimidin-4-yl-1,2,3,4-tetrahydronaphthalene-1,6-diamine is sourced from PubChem (CID 116650383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).