(5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

C15H17N3O — CID 124623409

IUPAC(5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CCC[C@H]2NCc1cncnc1
InChIInChI=1S/C15H17N3O/c19-15-6-2-3-12-13(15)4-1-5-14(12)18-9-11-7-16-10-17-8-11/h2-3,6-8,10,14,18-19H,1,4-5,9H2/t14-/m1/s1
InChIKeyDCMBLNGSMGIPSF-CQSZACIVSA-N
MW255.32 g/mol
LogP2.35
Rot. Bonds3

About (5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

(5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 124623409) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID124623409
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CCC[C@H]2NCc1cncnc1
InChIInChI=1S/C15H17N3O/c19-15-6-2-3-12-13(15)4-1-5-14(12)18-9-11-7-16-10-17-8-11/h2-3,6-8,10,14,18-19H,1,4-5,9H2/t14-/m1/s1
InChIKeyDCMBLNGSMGIPSF-CQSZACIVSA-N
XLogP2.35
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of (5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 124623409) is (5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for (5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is Oc1cccc2c1CCC[C@H]2NCc1cncnc1.
What is the InChIKey of (5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is DCMBLNGSMGIPSF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15-6-2-3-12-13(15)4-1-5-14(12)18-9-11-7-16-10-17-8-11/h2-3,6-8,10,14,18-19H,1,4-5,9H2/t14-/m1/s1.
What are the key properties of (5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol?
(5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 255.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 124623409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).