2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine

C13H17N5O — CID 80901049

IUPAC2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine
SMILESCc1cccc(OCCNc2ccnc(NN)n2)c1
InChIInChI=1S/C13H17N5O/c1-10-3-2-4-11(9-10)19-8-7-15-12-5-6-16-13(17-12)18-14/h2-6,9H,7-8,14H2,1H3,(H2,15,16,17,18)
InChIKeyKDFOVMDOKFKTCR-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.56
Rot. Bonds6

About 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine

2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine (PubChem CID 80901049) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine
PubChem CID80901049
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine
SMILESCc1cccc(OCCNc2ccnc(NN)n2)c1
InChIInChI=1S/C13H17N5O/c1-10-3-2-4-11(9-10)19-8-7-15-12-5-6-16-13(17-12)18-14/h2-6,9H,7-8,14H2,1H3,(H2,15,16,17,18)
InChIKeyKDFOVMDOKFKTCR-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N-methyl-6-N-[2-(3-methylphenoxy)ethyl]pyridine-2,6-diamine
CID 80815231
2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 80944536
N-[2-(3-methylphenoxy)ethyl]pyridazin-3-amine
CID 62482638
6-N-methyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80814624
6-N-ethyl-4-N-[2-(3-methylphenoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80791546
2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 55012620
N-(3-ethoxypropyl)-2-hydrazinylpyrimidin-4-amine
CID 80944662
4-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,5-diamine
CID 79177071
5-methyl-2-N-[2-(3-methylphenoxy)ethyl]pyridine-2,4-diamine
CID 83266428
4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine
CID 117083720
2-N-methyl-4-N-(3-phenoxypropyl)pyrimidine-2,4-diamine
CID 80827502
5-fluoro-N-[2-(3-methylphenoxy)ethyl]pyrimidin-2-amine
CID 113286019

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine (CID 80901049) is 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine is Cc1cccc(OCCNc2ccnc(NN)n2)c1.
What is the InChIKey of 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine?
The InChIKey is KDFOVMDOKFKTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-3-2-4-11(9-10)19-8-7-15-12-5-6-16-13(17-12)18-14/h2-6,9H,7-8,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine?
2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[2-(3-methylphenoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80901049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).