2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine

C16H15N3 — CID 105118863

IUPAC2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine
SMILESNC(Cc1ccc2ccccc2c1)c1cncnc1
InChIInChI=1S/C16H15N3/c17-16(15-9-18-11-19-10-15)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9-11,16H,8,17H2
InChIKeyHMHMQNRUFSKYIK-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.87
Rot. Bonds3

About 2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine

2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine (PubChem CID 105118863) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine
PubChem CID105118863
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine
SMILESNC(Cc1ccc2ccccc2c1)c1cncnc1
InChIInChI=1S/C16H15N3/c17-16(15-9-18-11-19-10-15)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9-11,16H,8,17H2
InChIKeyHMHMQNRUFSKYIK-UHFFFAOYSA-N
XLogP2.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-naphthalen-2-yl-1-pyrimidin-5-ylethyl)hydrazine
CID 105292158
2-(3-bromo-4-fluorophenyl)-1-pyrimidin-5-ylethanamine
CID 102923307
2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine
CID 102923357
1-(3-bromo-5-fluorophenyl)-2-naphthalen-2-ylethanamine
CID 63528397
(2S)-3-naphthalen-2-ylpropane-1,2-diamine
CID 68655255
[1-(5-fluoro-3-pyridinyl)-2-naphthalen-2-ylethyl]hydrazine
CID 105288112
2-(3-bromo-4-fluorophenyl)-1-naphthalen-2-ylethanamine
CID 63416624
2-(2,6-dichlorophenyl)-1-pyrimidin-5-ylethanamine
CID 55078463
1-(3-bromothiophen-2-yl)-2-naphthalen-2-ylethanamine
CID 63797585
1-(2-bromofuran-3-yl)-2-naphthalen-2-ylethanamine
CID 106854636
(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142
1-(3-methylfuran-2-yl)-2-naphthalen-2-ylethanamine
CID 61077731

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine (CID 105118863) is 2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine is NC(Cc1ccc2ccccc2c1)c1cncnc1.
What is the InChIKey of 2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine?
The InChIKey is HMHMQNRUFSKYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-16(15-9-18-11-19-10-15)8-12-5-6-13-3-1-2-4-14(13)7-12/h1-7,9-11,16H,8,17H2.
What are the key properties of 2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine?
2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine has a molecular weight of 249.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 105118863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).