6-methyl-2-N,4-N-dinaphthalen-1-ylpyrimidine-2,4-diamine

C25H20N4 — CID 3433074

IUPAC6-methyl-2-N,4-N-dinaphthalen-1-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc3ccccc23)nc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C25H20N4/c1-17-16-24(27-22-14-6-10-18-8-2-4-12-20(18)22)29-25(26-17)28-23-15-7-11-19-9-3-5-13-21(19)23/h2-16H,1H3,(H2,26,27,28,29)
InChIKeyOVSJIFMQFOXPQF-UHFFFAOYSA-N
MW376.46 g/mol
LogP6.58
Rot. Bonds4

About 6-methyl-2-N,4-N-dinaphthalen-1-ylpyrimidine-2,4-diamine

6-methyl-2-N,4-N-dinaphthalen-1-ylpyrimidine-2,4-diamine (PubChem CID 3433074) has the molecular formula C25H20N4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-methyl-2-N,4-N-dinaphthalen-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N,4-N-dinaphthalen-1-ylpyrimidine-2,4-diamine
PubChem CID3433074
Molecular FormulaC25H20N4
Molecular Weight376.46 g/mol
Exact Mass376.17
IUPAC Name6-methyl-2-N,4-N-dinaphthalen-1-ylpyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc3ccccc23)nc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C25H20N4/c1-17-16-24(27-22-14-6-10-18-8-2-4-12-20(18)22)29-25(26-17)28-23-15-7-11-19-9-3-5-13-21(19)23/h2-16H,1H3,(H2,26,27,28,29)
InChIKeyOVSJIFMQFOXPQF-UHFFFAOYSA-N
XLogP6.58
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N,4-N-dinaphthalen-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N,4-N-dinaphthalen-1-ylpyrimidine-2,4-diamine (CID 3433074) is 6-methyl-2-N,4-N-dinaphthalen-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N,4-N-dinaphthalen-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N,4-N-dinaphthalen-1-ylpyrimidine-2,4-diamine is Cc1cc(Nc2cccc3ccccc23)nc(Nc2cccc3ccccc23)n1.
What is the InChIKey of 6-methyl-2-N,4-N-dinaphthalen-1-ylpyrimidine-2,4-diamine?
The InChIKey is OVSJIFMQFOXPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4/c1-17-16-24(27-22-14-6-10-18-8-2-4-12-20(18)22)29-25(26-17)28-23-15-7-11-19-9-3-5-13-21(19)23/h2-16H,1H3,(H2,26,27,28,29).
What are the key properties of 6-methyl-2-N,4-N-dinaphthalen-1-ylpyrimidine-2,4-diamine?
6-methyl-2-N,4-N-dinaphthalen-1-ylpyrimidine-2,4-diamine has a molecular weight of 376.46 g/mol, XLogP of 6.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N,4-N-dinaphthalen-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 3433074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).