N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine

C17H21N3 — CID 65403880

IUPACN-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1ccnc(C2CCc3ccccc3C2)n1
InChIInChI=1S/C17H21N3/c1-2-18-12-16-9-10-19-17(20-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-6,9-10,15,18H,2,7-8,11-12H2,1H3
InChIKeyTVXPWHUPVAMGJH-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.86
Rot. Bonds4

About N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine

N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 65403880) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID65403880
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1ccnc(C2CCc3ccccc3C2)n1
InChIInChI=1S/C17H21N3/c1-2-18-12-16-9-10-19-17(20-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-6,9-10,15,18H,2,7-8,11-12H2,1H3
InChIKeyTVXPWHUPVAMGJH-UHFFFAOYSA-N
XLogP2.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine (CID 65403880) is N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine is CCNCc1ccnc(C2CCc3ccccc3C2)n1.
What is the InChIKey of N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is TVXPWHUPVAMGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-18-12-16-9-10-19-17(20-16)15-8-7-13-5-3-4-6-14(13)11-15/h3-6,9-10,15,18H,2,7-8,11-12H2,1H3.
What are the key properties of N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine?
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 267.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 65403880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).