2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol

C13H16ClN5O — CID 105060917

IUPAC2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
SMILESCC(CO)(Nc1nc(NN)ncc1Cl)c1ccccc1
InChIInChI=1S/C13H16ClN5O/c1-13(8-20,9-5-3-2-4-6-9)18-11-10(14)7-16-12(17-11)19-15/h2-7,20H,8,15H2,1H3,(H2,16,17,18,19)
InChIKeyVIEQGRMCPOEAHZ-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.74
Rot. Bonds5

About 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol

2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol (PubChem CID 105060917) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
PubChem CID105060917
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
SMILESCC(CO)(Nc1nc(NN)ncc1Cl)c1ccccc1
InChIInChI=1S/C13H16ClN5O/c1-13(8-20,9-5-3-2-4-6-9)18-11-10(14)7-16-12(17-11)19-15/h2-7,20H,8,15H2,1H3,(H2,16,17,18,19)
InChIKeyVIEQGRMCPOEAHZ-UHFFFAOYSA-N
XLogP1.74
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.74
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 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol (CID 105060917) is 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol is CC(CO)(Nc1nc(NN)ncc1Cl)c1ccccc1.
What is the InChIKey of 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
The InChIKey is VIEQGRMCPOEAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-13(8-20,9-5-3-2-4-6-9)18-11-10(14)7-16-12(17-11)19-15/h2-7,20H,8,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol has a molecular weight of 293.76 g/mol, XLogP of 1.74, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol is sourced from PubChem (CID 105060917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).