6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine

C13H17N5O — CID 80907992

IUPAC6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1ccc(Nc2cc(NN)ncn2)cc1
InChIInChI=1S/C13H17N5O/c1-2-7-19-11-5-3-10(4-6-11)17-12-8-13(18-14)16-9-15-12/h3-6,8-9H,2,7,14H2,1H3,(H2,15,16,17,18)
InChIKeyLVIUFNCYOFEKKL-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.29
Rot. Bonds6

About 6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine

6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine (PubChem CID 80907992) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
PubChem CID80907992
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
SMILESCCCOc1ccc(Nc2cc(NN)ncn2)cc1
InChIInChI=1S/C13H17N5O/c1-2-7-19-11-5-3-10(4-6-11)17-12-8-13(18-14)16-9-15-12/h3-6,8-9H,2,7,14H2,1H3,(H2,15,16,17,18)
InChIKeyLVIUFNCYOFEKKL-UHFFFAOYSA-N
XLogP2.29
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80894746
N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928200
N-(4-butylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80895038
2-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80908069
6-hydrazinyl-N-(4-iodophenyl)pyrimidin-4-amine
CID 80927130
6-N-[4-(dimethylamino)phenyl]-4-N-(4-ethoxyphenyl)pyrimidine-4,6-diamine
CID 112866338
6-N-(4-ethoxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866323
N-[4-(2-aminoethoxy)phenyl]-6-methylsulfanylpyrimidin-4-amine
CID 106973321
4-N-(4-propoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80941469
4-N-(4-propoxyphenyl)benzene-1,2,4-triamine
CID 106750723
2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine
CID 82061094
3-[4-[[6-(3-methylanilino)pyrimidin-4-yl]amino]phenoxy]propan-1-ol
CID 70187799

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine (CID 80907992) is 6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine is CCCOc1ccc(Nc2cc(NN)ncn2)cc1.
What is the InChIKey of 6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine?
The InChIKey is LVIUFNCYOFEKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-2-7-19-11-5-3-10(4-6-11)17-12-8-13(18-14)16-9-15-12/h3-6,8-9H,2,7,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine?
6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80907992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).