N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

C12H23N5 — CID 81000479

IUPACN-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCCCNc1nc(C(C)C)nc(NN)c1C
InChIInChI=1S/C12H23N5/c1-5-6-7-14-11-9(4)12(17-13)16-10(15-11)8(2)3/h8H,5-7,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyRAHYOYLPJZPNEM-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.41
Rot. Bonds6

About N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine

N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 81000479) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID81000479
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCCCNc1nc(C(C)C)nc(NN)c1C
InChIInChI=1S/C12H23N5/c1-5-6-7-14-11-9(4)12(17-13)16-10(15-11)8(2)3/h8H,5-7,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyRAHYOYLPJZPNEM-UHFFFAOYSA-N
XLogP2.41
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

6-hydrazinyl-5-methyl-N-octyl-2-propan-2-ylpyrimidin-4-amine
CID 115565447
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
N-(2-butoxyethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81006057
4-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-1-ol
CID 106847086
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-1-ol
CID 107324334
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163644
6-hydrazinyl-N-(2-methoxyethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001779
6-hydrazinyl-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 81006788
5-methyl-4-N-(3-methylsulfanylpropyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984789
6-chloro-N-hexyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80978049
3-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 81006974
4-N-hexan-2-yl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984973

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 81000479) is N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is CCCCNc1nc(C(C)C)nc(NN)c1C.
What is the InChIKey of N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is RAHYOYLPJZPNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-5-6-7-14-11-9(4)12(17-13)16-10(15-11)8(2)3/h8H,5-7,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine?
N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 81000479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).