4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine

C20H17N5O — CID 22543654

IUPAC4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
SMILESNc1c(NNc2ccccc2)ncnc1Oc1ccc2ccccc2c1
InChIInChI=1S/C20H17N5O/c21-18-19(25-24-16-8-2-1-3-9-16)22-13-23-20(18)26-17-11-10-14-6-4-5-7-15(14)12-17/h1-13,24H,21H2,(H,22,23,25)
InChIKeyCXZQBFFQHWFBKO-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.44
Rot. Bonds5

About 4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine

4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine (PubChem CID 22543654) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
PubChem CID22543654
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
SMILESNc1c(NNc2ccccc2)ncnc1Oc1ccc2ccccc2c1
InChIInChI=1S/C20H17N5O/c21-18-19(25-24-16-8-2-1-3-9-16)22-13-23-20(18)26-17-11-10-14-6-4-5-7-15(14)12-17/h1-13,24H,21H2,(H,22,23,25)
InChIKeyCXZQBFFQHWFBKO-UHFFFAOYSA-N
XLogP4.44
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19144376
4-(2-phenylhydrazinyl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
CID 19138730
4-N-(3-chlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543686
4-N-(3,5-dichlorophenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543583
N'-(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)-4-methylbenzohydrazide
CID 22543710
1-[3-[(5-amino-6-naphthalen-2-yloxypyrimidin-4-yl)amino]phenyl]ethanone
CID 22543595
4-N-hexadecyl-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543641
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543670
4-N-(1,3-benzothiazol-2-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543666
4-ethoxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22543733
4-N-(5-chloro-2-methylphenyl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543594
4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144334

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine?
The IUPAC name of 4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine (CID 22543654) is 4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine.
What is the SMILES notation for 4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine?
The canonical SMILES for 4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine is Nc1c(NNc2ccccc2)ncnc1Oc1ccc2ccccc2c1.
What is the InChIKey of 4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine?
The InChIKey is CXZQBFFQHWFBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c21-18-19(25-24-16-8-2-1-3-9-16)22-13-23-20(18)26-17-11-10-14-6-4-5-7-15(14)12-17/h1-13,24H,21H2,(H,22,23,25).
What are the key properties of 4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine?
4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine has a molecular weight of 343.39 g/mol, XLogP of 4.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yloxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine is sourced from PubChem (CID 22543654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).