6-naphthalen-2-yloxypyrimidine-2,4-diamine

C14H12N4O — CID 80870122

IUPAC6-naphthalen-2-yloxypyrimidine-2,4-diamine
SMILESNc1cc(Oc2ccc3ccccc3c2)nc(N)n1
InChIInChI=1S/C14H12N4O/c15-12-8-13(18-14(16)17-12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H4,15,16,17,18)
InChIKeyQVEJZMYJXBNCKW-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.59
Rot. Bonds2

About 6-naphthalen-2-yloxypyrimidine-2,4-diamine

6-naphthalen-2-yloxypyrimidine-2,4-diamine (PubChem CID 80870122) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 6-naphthalen-2-yloxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-naphthalen-2-yloxypyrimidine-2,4-diamine
PubChem CID80870122
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name6-naphthalen-2-yloxypyrimidine-2,4-diamine
SMILESNc1cc(Oc2ccc3ccccc3c2)nc(N)n1
InChIInChI=1S/C14H12N4O/c15-12-8-13(18-14(16)17-12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H4,15,16,17,18)
InChIKeyQVEJZMYJXBNCKW-UHFFFAOYSA-N
XLogP2.59
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-naphthalen-2-yloxy-2-propylpyrimidin-4-amine
CID 80943062
6-(4-bromo-3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80878320
6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine
CID 80880795
4-naphthalen-2-yloxybenzene-1,2-diamine
CID 106748292
2-(3,5-dinaphthalen-2-yloxyphenoxy)naphthalene
CID 135017313
6-(2-tert-butylphenoxy)pyrimidine-2,4-diamine
CID 80862736
2-methyl-6-quinolin-7-yloxypyrimidin-4-amine
CID 107315849
4-methyl-6-quinolin-7-yloxypyrimidin-2-amine
CID 107315905
3-naphthalen-2-yloxynaphthalen-2-amine
CID 155306607
3-naphthalen-2-yloxypyridazine
CID 91262966
6-(2-nitrophenoxy)pyrimidine-2,4-diamine
CID 80875321
4,6-diamino-2-naphthalen-2-yloxypyridine-3-carbonitrile
CID 70924926

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yloxypyrimidine-2,4-diamine?
The IUPAC name of 6-naphthalen-2-yloxypyrimidine-2,4-diamine (CID 80870122) is 6-naphthalen-2-yloxypyrimidine-2,4-diamine.
What is the SMILES notation for 6-naphthalen-2-yloxypyrimidine-2,4-diamine?
The canonical SMILES for 6-naphthalen-2-yloxypyrimidine-2,4-diamine is Nc1cc(Oc2ccc3ccccc3c2)nc(N)n1.
What is the InChIKey of 6-naphthalen-2-yloxypyrimidine-2,4-diamine?
The InChIKey is QVEJZMYJXBNCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-12-8-13(18-14(16)17-12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H4,15,16,17,18).
What are the key properties of 6-naphthalen-2-yloxypyrimidine-2,4-diamine?
6-naphthalen-2-yloxypyrimidine-2,4-diamine has a molecular weight of 252.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yloxypyrimidine-2,4-diamine is sourced from PubChem (CID 80870122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).