6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

C13H18N6O — CID 80919860

IUPAC6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccc(Nc2cc(NN)nc(N)n2)cc1
InChIInChI=1S/C13H18N6O/c1-8(2)20-10-5-3-9(4-6-10)16-11-7-12(19-15)18-13(14)17-11/h3-8H,15H2,1-2H3,(H4,14,16,17,18,19)
InChIKeyHKOZVDLXDACNBX-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.88
Rot. Bonds5

About 6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine

6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (PubChem CID 80919860) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
PubChem CID80919860
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
SMILESCC(C)Oc1ccc(Nc2cc(NN)nc(N)n2)cc1
InChIInChI=1S/C13H18N6O/c1-8(2)20-10-5-3-9(4-6-10)16-11-7-12(19-15)18-13(14)17-11/h3-8H,15H2,1-2H3,(H4,14,16,17,18,19)
InChIKeyHKOZVDLXDACNBX-UHFFFAOYSA-N
XLogP1.88
TPSA111.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.88
H-Bond Donors ≤ 54
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-(4-propan-2-yloxyphenyl)pyrazin-2-amine
CID 80920324
4-N-(4-chlorophenyl)-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112878027
6-hydrazinyl-4-N-(4-iodophenyl)pyrimidine-2,4-diamine
CID 80927048
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
6-chloro-2-N-(4-propan-2-yloxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80755806
4-N-(4-fluoro-3-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 114841204
4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112868724
4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80924462
6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine
CID 80769134
6-N-(4-ethoxyphenyl)-4-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112866323
6-ethoxy-2-N-(4-propan-2-yloxyphenyl)pyridine-2,5-diamine
CID 43261775
[4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol
CID 175988761

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine (CID 80919860) is 6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is CC(C)Oc1ccc(Nc2cc(NN)nc(N)n2)cc1.
What is the InChIKey of 6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is HKOZVDLXDACNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-8(2)20-10-5-3-9(4-6-10)16-11-7-12(19-15)18-13(14)17-11/h3-8H,15H2,1-2H3,(H4,14,16,17,18,19).
What are the key properties of 6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 274.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80919860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).