2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine

C12H23N5O — CID 106012863

IUPAC2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
SMILESCc1cc(NCCCCOC(C)C)nc(NN)n1
InChIInChI=1S/C12H23N5O/c1-9(2)18-7-5-4-6-14-11-8-10(3)15-12(16-11)17-13/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyDIRRRCUWTBLNNM-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.69
Rot. Bonds8

About 2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine

2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine (PubChem CID 106012863) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
PubChem CID106012863
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
SMILESCc1cc(NCCCCOC(C)C)nc(NN)n1
InChIInChI=1S/C12H23N5O/c1-9(2)18-7-5-4-6-14-11-8-10(3)15-12(16-11)17-13/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17)
InChIKeyDIRRRCUWTBLNNM-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-6-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137244
2-hydrazinyl-5-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012861
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 114542222
2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80898571
6-chloro-2-propan-2-yl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137332
5-fluoro-2-hydrazinyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012916
5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine
CID 106012460
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
2-N-(4-propan-2-yloxybutyl)-6-N-propylpyrazine-2,6-diamine
CID 106014673
4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 106012404
2-N,6-dimethyl-4-N-pentylpyrimidine-2,4-diamine
CID 80786153
methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate
CID 80944792

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine (CID 106012863) is 2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine is Cc1cc(NCCCCOC(C)C)nc(NN)n1.
What is the InChIKey of 2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine?
The InChIKey is DIRRRCUWTBLNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-9(2)18-7-5-4-6-14-11-8-10(3)15-12(16-11)17-13/h8-9H,4-7,13H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine?
2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 1.69, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine is sourced from PubChem (CID 106012863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).