6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine

C12H23N5O — CID 80907775

IUPAC6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1NCC(C)COC
InChIInChI=1S/C12H23N5O/c1-4-5-10-11(14-6-9(2)7-18-3)15-8-16-12(10)17-13/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyPJQBHRJPZOZSNJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.41
Rot. Bonds8

About 6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine

6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine (PubChem CID 80907775) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine
PubChem CID80907775
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(NN)ncnc1NCC(C)COC
InChIInChI=1S/C12H23N5O/c1-4-5-10-11(14-6-9(2)7-18-3)15-8-16-12(10)17-13/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyPJQBHRJPZOZSNJ-UHFFFAOYSA-N
XLogP1.41
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.41
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-N-(2-methoxypropyl)-5-propylpyrimidine-4,6-diamine
CID 102701914
N-hexan-2-yl-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80907974
6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]-5-propylpyrimidin-4-amine
CID 80901929
4-N-(3-methoxy-2-methylpropyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80816301
4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine
CID 80765819
6-hydrazinyl-5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 80910998
1-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]propan-2-ol
CID 80906559
2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80906224
6-hydrazinyl-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80897473
6-hydrazinyl-N-[(2-methoxyphenyl)methyl]-5-propylpyrimidin-4-amine
CID 80911879
5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 80908831
N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)-5-propylpyrimidin-4-amine
CID 80900457

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine (CID 80907775) is 6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine is CCCc1c(NN)ncnc1NCC(C)COC.
What is the InChIKey of 6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine?
The InChIKey is PJQBHRJPZOZSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-5-10-11(14-6-9(2)7-18-3)15-8-16-12(10)17-13/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine?
6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(3-methoxy-2-methylpropyl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80907775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).