5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

C15H21N5O — CID 80924266

IUPAC5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1NC(C)c1ccc(OC)cc1
InChIInChI=1S/C15H21N5O/c1-4-13-14(17-9-18-15(13)20-16)19-10(2)11-5-7-12(21-3)8-6-11/h5-10H,4,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyRLQJKAXTLTTZIX-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.51
Rot. Bonds6

About 5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (PubChem CID 80924266) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
PubChem CID80924266
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCCc1c(NN)ncnc1NC(C)c1ccc(OC)cc1
InChIInChI=1S/C15H21N5O/c1-4-13-14(17-9-18-15(13)20-16)19-10(2)11-5-7-12(21-3)8-6-11/h5-10H,4,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyRLQJKAXTLTTZIX-UHFFFAOYSA-N
XLogP2.51
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.51
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

5-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 80851098
5-ethyl-6-hydrazinyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80918531
6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 80901929
6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 80924119
[5-ethyl-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]hydrazine
CID 80913387
4-N-[1-(4-bromophenyl)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80801411
4-N-[1-(4-chlorophenyl)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80802117
5-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 15916528
N-(2,4-dimethoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80913595
5-ethyl-6-hydrazinyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 80897613
N-(3,5-dimethoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80912719
6-chloro-5-ethyl-N-[1-(4-ethylphenyl)ethyl]pyrimidin-4-amine
CID 106193524

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (CID 80924266) is 5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is CCc1c(NN)ncnc1NC(C)c1ccc(OC)cc1.
What is the InChIKey of 5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is RLQJKAXTLTTZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-13-14(17-9-18-15(13)20-16)19-10(2)11-5-7-12(21-3)8-6-11/h5-10H,4,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80924266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).