4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine

C18H19N3 — CID 15435581

IUPAC4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine
SMILESCc1ccc(-c2cc(C(C)C)nc(N)n2)c2ccccc12
InChIInChI=1S/C18H19N3/c1-11(2)16-10-17(21-18(19)20-16)15-9-8-12(3)13-6-4-5-7-14(13)15/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyIOQUKQGJRBGTBL-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.31
Rot. Bonds2

About 4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine

4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine (PubChem CID 15435581) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine
PubChem CID15435581
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine
SMILESCc1ccc(-c2cc(C(C)C)nc(N)n2)c2ccccc12
InChIInChI=1S/C18H19N3/c1-11(2)16-10-17(21-18(19)20-16)15-9-8-12(3)13-6-4-5-7-14(13)15/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyIOQUKQGJRBGTBL-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 4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine (CID 15435581) is 4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine is Cc1ccc(-c2cc(C(C)C)nc(N)n2)c2ccccc12.
What is the InChIKey of 4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is IOQUKQGJRBGTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-11(2)16-10-17(21-18(19)20-16)15-9-8-12(3)13-6-4-5-7-14(13)15/h4-11H,1-3H3,(H2,19,20,21).
What are the key properties of 4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine?
4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-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 4-(4-methylnaphthalen-1-yl)-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 15435581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).