5-bromo-2-hydrazinyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine

C9H14BrN5O — CID 82737407

IUPAC5-bromo-2-hydrazinyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine
SMILESCC1OCCC1Nc1nc(NN)ncc1Br
InChIInChI=1S/C9H14BrN5O/c1-5-7(2-3-16-5)13-8-6(10)4-12-9(14-8)15-11/h4-5,7H,2-3,11H2,1H3,(H2,12,13,14,15)
InChIKeySUDOUJRJUNIOLJ-UHFFFAOYSA-N
MW288.15 g/mol
LogP1.11
Rot. Bonds3

About 5-bromo-2-hydrazinyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine

5-bromo-2-hydrazinyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine (PubChem CID 82737407) has the molecular formula C9H14BrN5O and a molecular weight of 288.15 g/mol. Its IUPAC name is 5-bromo-2-hydrazinyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-hydrazinyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine
PubChem CID82737407
Molecular FormulaC9H14BrN5O
Molecular Weight288.15 g/mol
Exact Mass287.04
IUPAC Name5-bromo-2-hydrazinyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine
SMILESCC1OCCC1Nc1nc(NN)ncc1Br
InChIInChI=1S/C9H14BrN5O/c1-5-7(2-3-16-5)13-8-6(10)4-12-9(14-8)15-11/h4-5,7H,2-3,11H2,1H3,(H2,12,13,14,15)
InChIKeySUDOUJRJUNIOLJ-UHFFFAOYSA-N
XLogP1.11
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 51.11
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

2-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80919191
N-(2-bicyclo[2.2.1]heptanyl)-5-bromo-2-hydrazinylpyrimidin-4-amine
CID 80917302
2-hydrazinyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103335505
5-bromo-2-hydrazinyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80914415
5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 80915090
5-bromo-2-N-ethyl-4-N-(2-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80777337
5-bromo-N-tert-butyl-2-hydrazinylpyrimidin-4-amine
CID 80930723
5-bromo-N-(1-cyclohexylethyl)-2-hydrazinylpyrimidin-4-amine
CID 80919360
5-bromo-N-(cyclopentylmethyl)-2-hydrazinylpyrimidin-4-amine
CID 80894632
2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
CID 116797194
5-bromo-4-N-cycloheptyl-2-N-methylpyrimidine-2,4-diamine
CID 80771027
5-bromo-4-N-(2-methoxycyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 80817325

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydrazinyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-hydrazinyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine (CID 82737407) is 5-bromo-2-hydrazinyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-hydrazinyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-hydrazinyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine is CC1OCCC1Nc1nc(NN)ncc1Br.
What is the InChIKey of 5-bromo-2-hydrazinyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine?
The InChIKey is SUDOUJRJUNIOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN5O/c1-5-7(2-3-16-5)13-8-6(10)4-12-9(14-8)15-11/h4-5,7H,2-3,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-bromo-2-hydrazinyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine?
5-bromo-2-hydrazinyl-N-(2-methyloxolan-3-yl)pyrimidin-4-amine has a molecular weight of 288.15 g/mol, XLogP of 1.11, 3 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-(2-methyloxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 82737407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).