4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine

C14H19N5O — CID 80915422

IUPAC4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
SMILESCc1cc(Oc2cc(NN)nc(N)n2)ccc1C(C)C
InChIInChI=1S/C14H19N5O/c1-8(2)11-5-4-10(6-9(11)3)20-13-7-12(19-16)17-14(15)18-13/h4-8H,16H2,1-3H3,(H3,15,17,18,19)
InChIKeyGBQFUDHGWJNJBW-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.57
Rot. Bonds4

About 4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine

4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine (PubChem CID 80915422) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
PubChem CID80915422
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
SMILESCc1cc(Oc2cc(NN)nc(N)n2)ccc1C(C)C
InChIInChI=1S/C14H19N5O/c1-8(2)11-5-4-10(6-9(11)3)20-13-7-12(19-16)17-14(15)18-13/h4-8H,16H2,1-3H3,(H3,15,17,18,19)
InChIKeyGBQFUDHGWJNJBW-UHFFFAOYSA-N
XLogP2.57
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.57
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

4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80912189
N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80867147
4-ethoxy-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80867150
[6-(3,4-dimethylphenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80915052
5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-4-amine
CID 83265567
4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80915072
5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80863693
4-(5-chloro-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80921660
4-N-ethyl-6-(5-methyl-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
CID 80866048
4-[(5-chloro-3-pyridinyl)oxy]-6-hydrazinylpyrimidin-2-amine
CID 80922149
4-(5-bromo-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 107287670
[6-(4-bromophenoxy)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80969261

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine (CID 80915422) is 4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine is Cc1cc(Oc2cc(NN)nc(N)n2)ccc1C(C)C.
What is the InChIKey of 4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine?
The InChIKey is GBQFUDHGWJNJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-8(2)11-5-4-10(6-9(11)3)20-13-7-12(19-16)17-14(15)18-13/h4-8H,16H2,1-3H3,(H3,15,17,18,19).
What are the key properties of 4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine?
4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80915422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).