6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine

C15H15N5 — CID 80832323

IUPAC6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc3ncccc3c2)ncn1
InChIInChI=1S/C15H15N5/c1-2-16-14-9-15(19-10-18-14)20-12-5-6-13-11(8-12)4-3-7-17-13/h3-10H,2H2,1H3,(H2,16,18,19,20)
InChIKeyROSHPFJPNHOFMJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.20
Rot. Bonds4

About 6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine (PubChem CID 80832323) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine
PubChem CID80832323
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc3ncccc3c2)ncn1
InChIInChI=1S/C15H15N5/c1-2-16-14-9-15(19-10-18-14)20-12-5-6-13-11(8-12)4-3-7-17-13/h3-10H,2H2,1H3,(H2,16,18,19,20)
InChIKeyROSHPFJPNHOFMJ-UHFFFAOYSA-N
XLogP3.20
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine (CID 80832323) is 6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine is CCNc1cc(Nc2ccc3ncccc3c2)ncn1.
What is the InChIKey of 6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine?
The InChIKey is ROSHPFJPNHOFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-2-16-14-9-15(19-10-18-14)20-12-5-6-13-11(8-12)4-3-7-17-13/h3-10H,2H2,1H3,(H2,16,18,19,20).
What are the key properties of 6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine has a molecular weight of 265.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-quinolin-6-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80832323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).