5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine

C18H19N3 — CID 80978774

IUPAC5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1ccc2ccccc2c1
InChIInChI=1S/C18H19N3/c1-11(2)18-20-16(12(3)17(19)21-18)15-9-8-13-6-4-5-7-14(13)10-15/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyRXDRKGFKUSTSIP-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.31
Rot. Bonds2

About 5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine

5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80978774) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80978774
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1-c1ccc2ccccc2c1
InChIInChI=1S/C18H19N3/c1-11(2)18-20-16(12(3)17(19)21-18)15-9-8-13-6-4-5-7-14(13)10-15/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyRXDRKGFKUSTSIP-UHFFFAOYSA-N
XLogP4.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine (CID 80978774) is 5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1-c1ccc2ccccc2c1.
What is the InChIKey of 5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is RXDRKGFKUSTSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-11(2)18-20-16(12(3)17(19)21-18)15-9-8-13-6-4-5-7-14(13)10-15/h4-11H,1-3H3,(H2,19,20,21).
What are the key properties of 5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine?
5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-naphthalen-2-yl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80978774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).