6-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine

C16H20N4 — CID 44531188

IUPAC6-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H20N4/c1-2-13-14(15(17)20-16(18)19-13)12-8-7-10-5-3-4-6-11(10)9-12/h7-9H,2-6H2,1H3,(H4,17,18,19,20)
InChIKeyZNKZKSGYLVVONE-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.75
Rot. Bonds2

About 6-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine

6-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine (PubChem CID 44531188) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine
PubChem CID44531188
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name6-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1-c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H20N4/c1-2-13-14(15(17)20-16(18)19-13)12-8-7-10-5-3-4-6-11(10)9-12/h7-9H,2-6H2,1H3,(H4,17,18,19,20)
InChIKeyZNKZKSGYLVVONE-UHFFFAOYSA-N
XLogP2.75
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine (CID 44531188) is 6-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1-c1ccc2c(c1)CCCC2.
What is the InChIKey of 6-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine?
The InChIKey is ZNKZKSGYLVVONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-13-14(15(17)20-16(18)19-13)12-8-7-10-5-3-4-6-11(10)9-12/h7-9H,2-6H2,1H3,(H4,17,18,19,20).
What are the key properties of 6-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine?
6-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine has a molecular weight of 268.36 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 44531188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).