methyl-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]cyanamide

C16H16N4 — CID 116977818

IUPACmethyl-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]cyanamide
SMILESCN(C#N)c1ncc(-c2ccc3c(c2)CCCC3)cn1
InChIInChI=1S/C16H16N4/c1-20(11-17)16-18-9-15(10-19-16)14-7-6-12-4-2-3-5-13(12)8-14/h6-10H,2-5H2,1H3
InChIKeyVYXHWTLDJPOGFK-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.94
Rot. Bonds2

About methyl-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]cyanamide

methyl-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]cyanamide (PubChem CID 116977818) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Namemethyl-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]cyanamide
PubChem CID116977818
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Namemethyl-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]cyanamide
SMILESCN(C#N)c1ncc(-c2ccc3c(c2)CCCC3)cn1
InChIInChI=1S/C16H16N4/c1-20(11-17)16-18-9-15(10-19-16)14-7-6-12-4-2-3-5-13(12)8-14/h6-10H,2-5H2,1H3
InChIKeyVYXHWTLDJPOGFK-UHFFFAOYSA-N
XLogP2.94
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]cyanamide?
The IUPAC name of methyl-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]cyanamide (CID 116977818) is methyl-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]cyanamide.
What is the SMILES notation for methyl-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]cyanamide?
The canonical SMILES for methyl-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]cyanamide is CN(C#N)c1ncc(-c2ccc3c(c2)CCCC3)cn1.
What is the InChIKey of methyl-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]cyanamide?
The InChIKey is VYXHWTLDJPOGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-20(11-17)16-18-9-15(10-19-16)14-7-6-12-4-2-3-5-13(12)8-14/h6-10H,2-5H2,1H3.
What are the key properties of methyl-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]cyanamide?
methyl-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]cyanamide has a molecular weight of 264.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 116977818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).