6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine

C15H21N5O — CID 80901261

IUPAC6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCOCc1cccc(Nc2ncnc(NN)c2C(C)C)c1
InChIInChI=1S/C15H21N5O/c1-10(2)13-14(17-9-18-15(13)20-16)19-12-6-4-5-11(7-12)8-21-3/h4-7,9-10H,8,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyKCZZWDXTAVIEML-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.78
Rot. Bonds6

About 6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine

6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80901261) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine
PubChem CID80901261
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine
SMILESCOCc1cccc(Nc2ncnc(NN)c2C(C)C)c1
InChIInChI=1S/C15H21N5O/c1-10(2)13-14(17-9-18-15(13)20-16)19-12-6-4-5-11(7-12)8-21-3/h4-7,9-10H,8,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyKCZZWDXTAVIEML-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 114073042
8-fluoro-N-[3-(methoxymethyl)phenyl]quinazolin-4-amine
CID 119045645
6-hydrazinyl-5-propan-2-yl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80912556
6-N-ethyl-4-N-(3-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80755254
5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80802102
5-bromo-4-N-[3-(methoxymethyl)phenyl]-2-N-methylpyrimidine-2,4-diamine
CID 80801794
2-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62249141
6-hydrazinyl-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102701988
N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80928282
5-N-[3-(methoxymethyl)phenyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66017245
6-N-ethyl-4-N-(3-methylsulfanylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767948
N-(5-bromo-2-methoxyphenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80902212

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine (CID 80901261) is 6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine is COCc1cccc(Nc2ncnc(NN)c2C(C)C)c1.
What is the InChIKey of 6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is KCZZWDXTAVIEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)13-14(17-9-18-15(13)20-16)19-12-6-4-5-11(7-12)8-21-3/h4-7,9-10H,8,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine?
6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 287.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[3-(methoxymethyl)phenyl]-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80901261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).