5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine

C9H16BrN5O — CID 80908831

IUPAC5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
SMILESCOCC(C)CNc1nc(NN)ncc1Br
InChIInChI=1S/C9H16BrN5O/c1-6(5-16-2)3-12-8-7(10)4-13-9(14-8)15-11/h4,6H,3,5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyVPZPACAXHWTALR-UHFFFAOYSA-N
MW290.17 g/mol
LogP1.22
Rot. Bonds6

About 5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine

5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine (PubChem CID 80908831) has the molecular formula C9H16BrN5O and a molecular weight of 290.17 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
PubChem CID80908831
Molecular FormulaC9H16BrN5O
Molecular Weight290.17 g/mol
Exact Mass289.05
IUPAC Name5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
SMILESCOCC(C)CNc1nc(NN)ncc1Br
InChIInChI=1S/C9H16BrN5O/c1-6(5-16-2)3-12-8-7(10)4-13-9(14-8)15-11/h4,6H,3,5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyVPZPACAXHWTALR-UHFFFAOYSA-N
XLogP1.22
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80913402
5-bromo-2-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80912407
5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine
CID 80903174
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179503
5-bromo-N-ethyl-2-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80901659
methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80899107
3-bromo-2-N-(3-methoxy-2-methylpropyl)-4-methylpyridine-2,5-diamine
CID 104506698
5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine
CID 80930723
2,5-dichloro-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 79633418
[5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine
CID 80922146
5-bromo-N-(cyclopentylmethyl)-2-hydrazinylpyrimidin-4-amine
CID 80894632
5-bromo-2-hydrazinyl-N-pentan-2-ylpyrimidin-4-amine
CID 80932768

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine (CID 80908831) is 5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine is COCC(C)CNc1nc(NN)ncc1Br.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine?
The InChIKey is VPZPACAXHWTALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrN5O/c1-6(5-16-2)3-12-8-7(10)4-13-9(14-8)15-11/h4,6H,3,5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine has a molecular weight of 290.17 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 80908831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).