4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine

C24H17N3O2 — CID 22541342

IUPAC4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine
SMILESNc1c(Oc2ccc3ccccc3c2)ncnc1Oc1cccc2ccccc12
InChIInChI=1S/C24H17N3O2/c25-22-23(28-19-13-12-16-6-1-2-8-18(16)14-19)26-15-27-24(22)29-21-11-5-9-17-7-3-4-10-20(17)21/h1-15H,25H2
InChIKeyKVHBYRNGDWBMRB-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.95
Rot. Bonds4

About 4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine

4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine (PubChem CID 22541342) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine.

Molecular Properties

Compound Name4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine
PubChem CID22541342
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine
SMILESNc1c(Oc2ccc3ccccc3c2)ncnc1Oc1cccc2ccccc12
InChIInChI=1S/C24H17N3O2/c25-22-23(28-19-13-12-16-6-1-2-8-18(16)14-19)26-15-27-24(22)29-21-11-5-9-17-7-3-4-10-20(17)21/h1-15H,25H2
InChIKeyKVHBYRNGDWBMRB-UHFFFAOYSA-N
XLogP5.95
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22543733
6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine
CID 80865916
4-naphthalen-2-yloxyquinazoline
CID 31538161
4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543636
4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine
CID 22541503
4-naphthalen-1-yloxy-6-piperidin-1-ylpyrimidin-5-amine
CID 22541377
4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 22543654
4-N-(3-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541507
4-N-hexadecyl-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543641
4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541401
2-naphthalen-2-yl-6-(4-naphthalen-1-yloxyphenyl)naphthalene
CID 71004721
4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine
CID 22541556

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine?
The IUPAC name of 4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine (CID 22541342) is 4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine.
What is the SMILES notation for 4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine?
The canonical SMILES for 4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine is Nc1c(Oc2ccc3ccccc3c2)ncnc1Oc1cccc2ccccc12.
What is the InChIKey of 4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine?
The InChIKey is KVHBYRNGDWBMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c25-22-23(28-19-13-12-16-6-1-2-8-18(16)14-19)26-15-27-24(22)29-21-11-5-9-17-7-3-4-10-20(17)21/h1-15H,25H2.
What are the key properties of 4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine?
4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine has a molecular weight of 379.42 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine is sourced from PubChem (CID 22541342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).