5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine

C16H20N4 — CID 80822032

IUPAC5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC1CCc2ccccc2C1
InChIInChI=1S/C16H20N4/c1-2-14-15(17)18-10-19-16(14)20-13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13H,2,7-9H2,1H3,(H3,17,18,19,20)
InChIKeySHLLLEHBHHAPDQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.59
Rot. Bonds3

About 5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine

5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine (PubChem CID 80822032) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine
PubChem CID80822032
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC1CCc2ccccc2C1
InChIInChI=1S/C16H20N4/c1-2-14-15(17)18-10-19-16(14)20-13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13H,2,7-9H2,1H3,(H3,17,18,19,20)
InChIKeySHLLLEHBHHAPDQ-UHFFFAOYSA-N
XLogP2.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine (CID 80822032) is 5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine is CCc1c(N)ncnc1NC1CCc2ccccc2C1.
What is the InChIKey of 5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine?
The InChIKey is SHLLLEHBHHAPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-2-14-15(17)18-10-19-16(14)20-13-8-7-11-5-3-4-6-12(11)9-13/h3-6,10,13H,2,7-9H2,1H3,(H3,17,18,19,20).
What are the key properties of 5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine?
5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine has a molecular weight of 268.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80822032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).