N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine

C18H19N3 — CID 62790717

IUPACN-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2ccccc2c1)c1ncccn1
InChIInChI=1S/C18H19N3/c1-2-10-19-17(18-20-11-5-12-21-18)16-9-8-14-6-3-4-7-15(14)13-16/h3-9,11-13,17,19H,2,10H2,1H3
InChIKeyVFXCYYDLLQURNE-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.72
Rot. Bonds5

About N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine

N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine (PubChem CID 62790717) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine
PubChem CID62790717
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2ccccc2c1)c1ncccn1
InChIInChI=1S/C18H19N3/c1-2-10-19-17(18-20-11-5-12-21-18)16-9-8-14-6-3-4-7-15(14)13-16/h3-9,11-13,17,19H,2,10H2,1H3
InChIKeyVFXCYYDLLQURNE-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[naphthalen-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 62790514
N-[(4-propoxyphenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 62795433
N-[(3-fluorophenyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 60818747
N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105141684
N-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine
CID 105141634
3-naphthalen-2-yl-N-propylbutan-2-amine
CID 66437220
2,2-dimethyl-1-naphthalen-2-yl-N-propylbutan-1-amine
CID 115851112
2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 63413588
2-naphthalen-2-yl-2-(propylamino)ethanol
CID 61055183
N-[(5-fluoro-3-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 54967240
N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine
CID 63942460
2-naphthalen-2-yl-2-(propylamino)acetic acid
CID 43754123

Frequently Asked Questions

What is the IUPAC name of N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine (CID 62790717) is N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine is CCCNC(c1ccc2ccccc2c1)c1ncccn1.
What is the InChIKey of N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine?
The InChIKey is VFXCYYDLLQURNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-10-19-17(18-20-11-5-12-21-18)16-9-8-14-6-3-4-7-15(14)13-16/h3-9,11-13,17,19H,2,10H2,1H3.
What are the key properties of N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine?
N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine has a molecular weight of 277.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 62790717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).