N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine

C18H19N3 — CID 62368631

IUPACN-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCc2cccc3ccccc23)ncn1
InChIInChI=1S/C18H19N3/c1-13(2)17-10-18(21-12-20-17)19-11-15-8-5-7-14-6-3-4-9-16(14)15/h3-10,12-13H,11H2,1-2H3,(H,19,20,21)
InChIKeyRBLCAORTFYQBPT-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.37
Rot. Bonds4

About N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine

N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 62368631) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID62368631
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1cc(NCc2cccc3ccccc23)ncn1
InChIInChI=1S/C18H19N3/c1-13(2)17-10-18(21-12-20-17)19-11-15-8-5-7-14-6-3-4-9-16(14)15/h3-10,12-13H,11H2,1-2H3,(H,19,20,21)
InChIKeyRBLCAORTFYQBPT-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine (CID 62368631) is N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine is CC(C)c1cc(NCc2cccc3ccccc23)ncn1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is RBLCAORTFYQBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13(2)17-10-18(21-12-20-17)19-11-15-8-5-7-14-6-3-4-9-16(14)15/h3-10,12-13H,11H2,1-2H3,(H,19,20,21).
What are the key properties of N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine?
N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 62368631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).