N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine

C12H21N5 — CID 80895719

IUPACN-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCCCCN(c1cc(NN)nc(C)n1)C1CC1
InChIInChI=1S/C12H21N5/c1-3-4-7-17(10-5-6-10)12-8-11(16-13)14-9(2)15-12/h8,10H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyRVSPJVFAPWJCHH-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.84
Rot. Bonds6

About N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine

N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine (PubChem CID 80895719) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine
PubChem CID80895719
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC NameN-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine
SMILESCCCCN(c1cc(NN)nc(C)n1)C1CC1
InChIInChI=1S/C12H21N5/c1-3-4-7-17(10-5-6-10)12-8-11(16-13)14-9(2)15-12/h8,10H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyRVSPJVFAPWJCHH-UHFFFAOYSA-N
XLogP1.84
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[cyclobutyl-(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]ethanol
CID 102875846
N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567034
3-[cyclobutyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 102875789
4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80799717
4-N-cyclopropyl-4-N-(2-methoxyethyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80808313
4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80799416
N-cyclopropyl-6-hydrazinyl-N-propylpyrimidin-4-amine
CID 80895552
2-[(2-amino-6-hydrazinylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80904604
4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80799568
2-[cyclopentyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80809845
3-[cyclobutyl-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]amino]propan-1-ol
CID 102875795
2-[cyclobutyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 102875669

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine (CID 80895719) is N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine is CCCCN(c1cc(NN)nc(C)n1)C1CC1.
What is the InChIKey of N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine?
The InChIKey is RVSPJVFAPWJCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-4-7-17(10-5-6-10)12-8-11(16-13)14-9(2)15-12/h8,10H,3-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine?
N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine has a molecular weight of 235.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 80895719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).