3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol

C9H16ClN5O — CID 115366625

IUPAC3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1nc(NN)ncc1Cl
InChIInChI=1S/C9H16ClN5O/c1-9(2,5-16)4-13-7-6(10)3-12-8(14-7)15-11/h3,16H,4-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyLXJZUQRKABYJFH-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.85
Rot. Bonds5

About 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol

3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 115366625) has the molecular formula C9H16ClN5O and a molecular weight of 245.71 g/mol. Its IUPAC name is 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID115366625
Molecular FormulaC9H16ClN5O
Molecular Weight245.71 g/mol
Exact Mass245.10
IUPAC Name3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1nc(NN)ncc1Cl
InChIInChI=1S/C9H16ClN5O/c1-9(2,5-16)4-13-7-6(10)3-12-8(14-7)15-11/h3,16H,4-5,11H2,1-2H3,(H2,12,13,14,15)
InChIKeyLXJZUQRKABYJFH-UHFFFAOYSA-N
XLogP0.85
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.85
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol (CID 115366625) is 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1nc(NN)ncc1Cl.
What is the InChIKey of 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is LXJZUQRKABYJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5O/c1-9(2,5-16)4-13-7-6(10)3-12-8(14-7)15-11/h3,16H,4-5,11H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 245.71 g/mol, XLogP of 0.85, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115366625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).