6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine

C12H23N5 — CID 80969046

IUPAC6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)CCNc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C12H23N5/c1-8(2)5-6-14-10-7-11(17-13)16-12(15-10)9(3)4/h7-9H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyGYLHFUZGVDWPBW-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.34
Rot. Bonds6

About 6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine

6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80969046) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80969046
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)CCNc1cc(NN)nc(C(C)C)n1
InChIInChI=1S/C12H23N5/c1-8(2)5-6-14-10-7-11(17-13)16-12(15-10)9(3)4/h7-9H,5-6,13H2,1-4H3,(H2,14,15,16,17)
InChIKeyGYLHFUZGVDWPBW-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 53
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

4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
6-hydrazinyl-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
N-(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 80969220
2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80969047
6-hydrazinyl-N-(2-phenylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80968187
1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80969009
6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80964166
6-hydrazinyl-2-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-4-amine
CID 106327653
3-[[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80968493
6-hydrazinyl-N-(3-methylbutyl)pyridin-2-amine
CID 80931651
N-cyclopropyl-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968411
6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine
CID 80903582

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine (CID 80969046) is 6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine is CC(C)CCNc1cc(NN)nc(C(C)C)n1.
What is the InChIKey of 6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is GYLHFUZGVDWPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-8(2)5-6-14-10-7-11(17-13)16-12(15-10)9(3)4/h7-9H,5-6,13H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine?
6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(3-methylbutyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80969046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).