6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine

C15H21N5O — CID 80911879

IUPAC6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1NCc1ccccc1OC
InChIInChI=1S/C15H21N5O/c1-3-6-12-14(18-10-19-15(12)20-16)17-9-11-7-4-5-8-13(11)21-2/h4-5,7-8,10H,3,6,9,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyDUKPLYMFLRHYRG-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.34
Rot. Bonds7

About 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine

6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine (PubChem CID 80911879) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine
PubChem CID80911879
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1NCc1ccccc1OC
InChIInChI=1S/C15H21N5O/c1-3-6-12-14(18-10-19-15(12)20-16)17-9-11-7-4-5-8-13(11)21-2/h4-5,7-8,10H,3,6,9,16H2,1-2H3,(H2,17,18,19,20)
InChIKeyDUKPLYMFLRHYRG-UHFFFAOYSA-N
XLogP2.34
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.34
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

N-[(2-bromophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80899023
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80932408
5-bromo-6-hydrazinyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 106262742
6-N-ethyl-4-N-(2-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768641
N-[(2-chloro-6-methoxyphenyl)methyl]-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 103293681
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80902077
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80911399
4-N-[(2-chlorophenyl)methyl]-5-propylpyrimidine-4,6-diamine
CID 80784843
6-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]-5-propylpyrimidin-4-amine
CID 80908255
5-bromo-2-N-ethyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80769855
N-[(2-methoxyphenyl)methyl]-4-propylaniline
CID 29045646
6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine
CID 80907775

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine (CID 80911879) is 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine is CCCc1c(NN)ncnc1NCc1ccccc1OC.
What is the InChIKey of 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine?
The InChIKey is DUKPLYMFLRHYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-6-12-14(18-10-19-15(12)20-16)17-9-11-7-4-5-8-13(11)21-2/h4-5,7-8,10H,3,6,9,16H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine?
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80911879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).