2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine

C17H18N4 — CID 66792053

IUPAC2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(Nc2cccc3ccccc23)n1
InChIInChI=1S/C17H18N4/c1-3-18-17-19-11-12(2)16(21-17)20-15-10-6-8-13-7-4-5-9-14(13)15/h4-11H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyQINJORDYJZKYDF-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.11
Rot. Bonds4

About 2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine

2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine (PubChem CID 66792053) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
PubChem CID66792053
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
SMILESCCNc1ncc(C)c(Nc2cccc3ccccc23)n1
InChIInChI=1S/C17H18N4/c1-3-18-17-19-11-12(2)16(21-17)20-15-10-6-8-13-7-4-5-9-14(13)15/h4-11H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyQINJORDYJZKYDF-UHFFFAOYSA-N
XLogP4.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine (CID 66792053) is 2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine is CCNc1ncc(C)c(Nc2cccc3ccccc23)n1.
What is the InChIKey of 2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine?
The InChIKey is QINJORDYJZKYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-3-18-17-19-11-12(2)16(21-17)20-15-10-6-8-13-7-4-5-9-14(13)15/h4-11H,3H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine?
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine has a molecular weight of 278.36 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 66792053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).