6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine

C13H20N6O — CID 106390426

IUPAC6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cnc(C(C)Nc2cc(NN)nc(C(C)C)n2)o1
InChIInChI=1S/C13H20N6O/c1-7(2)12-17-10(5-11(18-12)19-14)16-9(4)13-15-6-8(3)20-13/h5-7,9H,14H2,1-4H3,(H2,16,17,18,19)
InChIKeyVKESCIXFMPGAHK-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.36
Rot. Bonds5

About 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine

6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 106390426) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID106390426
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cnc(C(C)Nc2cc(NN)nc(C(C)C)n2)o1
InChIInChI=1S/C13H20N6O/c1-7(2)12-17-10(5-11(18-12)19-14)16-9(4)13-15-6-8(3)20-13/h5-7,9H,14H2,1-4H3,(H2,16,17,18,19)
InChIKeyVKESCIXFMPGAHK-UHFFFAOYSA-N
XLogP2.36
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 106390412
6-hydrazinyl-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106390425
6-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 103946658
6-N-methyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106390392
6-chloro-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106389477
2-(methoxymethyl)-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 106390312
ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 80964798
5-chloro-2-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 106390455
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387648
N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964999
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964990
5-iodo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 104844331

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine (CID 106390426) is 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine is Cc1cnc(C(C)Nc2cc(NN)nc(C(C)C)n2)o1.
What is the InChIKey of 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is VKESCIXFMPGAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-7(2)12-17-10(5-11(18-12)19-14)16-9(4)13-15-6-8(3)20-13/h5-7,9H,14H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine?
6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 276.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106390426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).