4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine

C18H21N5O — CID 22541503

IUPAC4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine
SMILESCC(C)(C)NNc1ncnc(Oc2cccc3ccccc23)c1N
InChIInChI=1S/C18H21N5O/c1-18(2,3)23-22-16-15(19)17(21-11-20-16)24-14-10-6-8-12-7-4-5-9-13(12)14/h4-11,23H,19H2,1-3H3,(H,20,21,22)
InChIKeyLTCCIAHSNHGWIT-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.72
Rot. Bonds4

About 4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine

4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine (PubChem CID 22541503) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine
PubChem CID22541503
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine
SMILESCC(C)(C)NNc1ncnc(Oc2cccc3ccccc23)c1N
InChIInChI=1S/C18H21N5O/c1-18(2,3)23-22-16-15(19)17(21-11-20-16)24-14-10-6-8-12-7-4-5-9-13(12)14/h4-11,23H,19H2,1-3H3,(H,20,21,22)
InChIKeyLTCCIAHSNHGWIT-UHFFFAOYSA-N
XLogP3.72
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541455
6-naphthalen-1-yloxy-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 22541555
N'-(5-amino-6-naphthalen-1-yloxypyrimidin-4-yl)-4-chlorobenzohydrazide
CID 22541478
4-N-(3-bromophenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541507
4-N-(3-chloro-2-methylphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541350
4-N-(5-chloro-2-methoxyphenyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541353
4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine
CID 22540813
4-naphthalen-1-yloxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22541342
4-naphthalen-1-yloxy-6-piperidin-1-ylpyrimidin-5-amine
CID 22541377
6-naphthalen-1-yloxy-5-propan-2-ylpyrimidin-4-amine
CID 80865916
4-N,4-N-bis(2-methoxyethyl)-6-naphthalen-1-yloxypyrimidine-4,5-diamine
CID 22541401
4-imidazol-1-yl-6-naphthalen-1-yloxypyrimidin-5-amine
CID 22541556

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine?
The IUPAC name of 4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine (CID 22541503) is 4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine.
What is the SMILES notation for 4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine?
The canonical SMILES for 4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine is CC(C)(C)NNc1ncnc(Oc2cccc3ccccc23)c1N.
What is the InChIKey of 4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine?
The InChIKey is LTCCIAHSNHGWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-18(2,3)23-22-16-15(19)17(21-11-20-16)24-14-10-6-8-12-7-4-5-9-13(12)14/h4-11,23H,19H2,1-3H3,(H,20,21,22).
What are the key properties of 4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine?
4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine has a molecular weight of 323.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylhydrazinyl)-6-naphthalen-1-yloxypyrimidin-5-amine is sourced from PubChem (CID 22541503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).