3-(ethylaminomethyl)-5-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-amine

C17H22N4 — CID 58466739

IUPAC3-(ethylaminomethyl)-5-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCNCC1Cc2c(cccc2-c2cncnc2)CC1N
InChIInChI=1S/C17H22N4/c1-2-19-8-13-6-16-12(7-17(13)18)4-3-5-15(16)14-9-20-11-21-10-14/h3-5,9-11,13,17,19H,2,6-8,18H2,1H3
InChIKeyJGCKTYSJKAMFSZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.80
Rot. Bonds4

About 3-(ethylaminomethyl)-5-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-amine

3-(ethylaminomethyl)-5-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 58466739) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-5-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name3-(ethylaminomethyl)-5-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID58466739
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name3-(ethylaminomethyl)-5-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCNCC1Cc2c(cccc2-c2cncnc2)CC1N
InChIInChI=1S/C17H22N4/c1-2-19-8-13-6-16-12(7-17(13)18)4-3-5-15(16)14-9-20-11-21-10-14/h3-5,9-11,13,17,19H,2,6-8,18H2,1H3
InChIKeyJGCKTYSJKAMFSZ-UHFFFAOYSA-N
XLogP1.80
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-5-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 3-(ethylaminomethyl)-5-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 58466739) is 3-(ethylaminomethyl)-5-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 3-(ethylaminomethyl)-5-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 3-(ethylaminomethyl)-5-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-amine is CCNCC1Cc2c(cccc2-c2cncnc2)CC1N.
What is the InChIKey of 3-(ethylaminomethyl)-5-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is JGCKTYSJKAMFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-19-8-13-6-16-12(7-17(13)18)4-3-5-15(16)14-9-20-11-21-10-14/h3-5,9-11,13,17,19H,2,6-8,18H2,1H3.
What are the key properties of 3-(ethylaminomethyl)-5-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
3-(ethylaminomethyl)-5-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 282.39 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-5-pyrimidin-5-yl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 58466739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).