5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

C14H15N3O — CID 107588220

IUPAC5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCCC2Nc1cncnc1
InChIInChI=1S/C14H15N3O/c18-12-4-5-13-10(6-12)2-1-3-14(13)17-11-7-15-9-16-8-11/h4-9,14,17-18H,1-3H2
InChIKeyMNLDQLIJFBQACQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.67
Rot. Bonds2

About 5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 107588220) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID107588220
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)CCCC2Nc1cncnc1
InChIInChI=1S/C14H15N3O/c18-12-4-5-13-10(6-12)2-1-3-14(13)17-11-7-15-9-16-8-11/h4-9,14,17-18H,1-3H2
InChIKeyMNLDQLIJFBQACQ-UHFFFAOYSA-N
XLogP2.67
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chloro-4-hydroxyanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 107678368
1-(4-bromoanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681800
1-[(1-propan-2-ylpyrazol-4-yl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682342
5-(4-chloro-2-iodoanilino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 107632388
5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114331480
2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propane-1,3-diol
CID 65310523
1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107682026
1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107682586
(5R)-5-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 162618789
1-(4-ethylanilino)-2,3-dihydro-1H-inden-5-ol
CID 107681814
N-(6-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-5-amine
CID 107588055
5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 115903537

Frequently Asked Questions

What is the IUPAC name of 5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 107588220) is 5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)CCCC2Nc1cncnc1.
What is the InChIKey of 5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is MNLDQLIJFBQACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-12-4-5-13-10(6-12)2-1-3-14(13)17-11-7-15-9-16-8-11/h4-9,14,17-18H,1-3H2.
What are the key properties of 5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 241.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrimidin-5-ylamino)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 107588220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).