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

C16H19N3 — CID 55175289

IUPAC2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine
SMILESNCCc1ccnc(C2CCCc3ccccc32)n1
InChIInChI=1S/C16H19N3/c17-10-8-13-9-11-18-16(19-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,9,11,15H,3,5,7-8,10,17H2
InChIKeyQMCXYDKPHGYMTI-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.45
Rot. Bonds3

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

2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine (PubChem CID 55175289) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine
PubChem CID55175289
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine
SMILESNCCc1ccnc(C2CCCc3ccccc32)n1
InChIInChI=1S/C16H19N3/c17-10-8-13-9-11-18-16(19-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,9,11,15H,3,5,7-8,10,17H2
InChIKeyQMCXYDKPHGYMTI-UHFFFAOYSA-N
XLogP2.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydro-1H-inden-1-yl)pyrimidin-4-yl]-N-methylmethanamine
CID 65403490
2-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrimidin-4-amine
CID 140627468
4-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
CID 70982416
2-[5-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 62720048
4-(chloromethyl)-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 114245062
[6-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]hydrazine
CID 63251092
[2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazol-4-yl]methanamine
CID 63250998
[6-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]hydrazine
CID 63251093
2-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55174707
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685855
7-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazo[4,5-b]pyridine
CID 63723162
5-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2H-tetrazole
CID 129369108

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine (CID 55175289) is 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine is NCCc1ccnc(C2CCCc3ccccc32)n1.
What is the InChIKey of 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine?
The InChIKey is QMCXYDKPHGYMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-10-8-13-9-11-18-16(19-13)15-7-3-5-12-4-1-2-6-14(12)15/h1-2,4,6,9,11,15H,3,5,7-8,10,17H2.
What are the key properties of 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine?
2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine has a molecular weight of 253.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 55175289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).