N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine

C12H23N5 — CID 80969280

IUPACN-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C12H23N5/c1-5-6-7-17(4)11-8-10(16-13)14-12(15-11)9(2)3/h8-9H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyHERMVYOTBNKFHZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.12
Rot. Bonds6

About N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine

N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80969280) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80969280
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C12H23N5/c1-5-6-7-17(4)11-8-10(16-13)14-12(15-11)9(2)3/h8-9H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyHERMVYOTBNKFHZ-UHFFFAOYSA-N
XLogP2.12
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.12
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

6-hydrazinyl-N-methyl-2-propan-2-yl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 81065194
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 105421058
2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80964094
4-N,4-N-dibutyl-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80949421
6-hydrazinyl-N,N-bis(2-methoxyethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80963989
6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine
CID 80968795
N-cyclopentyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80968637
6-N-ethyl-4-N-methyl-2-propan-2-yl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80959784
6-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine
CID 80964530
N-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80969220
1-[ethyl-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80969607
1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80957681

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80969280) is N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine is CCCCN(C)c1cc(NN)nc(C(C)C)n1.
What is the InChIKey of N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is HERMVYOTBNKFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-5-6-7-17(4)11-8-10(16-13)14-12(15-11)9(2)3/h8-9H,5-7,13H2,1-4H3,(H,14,15,16).
What are the key properties of N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine?
N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-hydrazinyl-N-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80969280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).