1-[(2,6-dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol

C9H12Cl2N4O — CID 91050598

IUPAC1-[(2,6-dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILES[H]/N=C/c1c(Cl)nc(Cl)nc1NCC(C)(C)O
InChIInChI=1S/C9H12Cl2N4O/c1-9(2,16)4-13-7-5(3-12)6(10)14-8(11)15-7/h3,12,16H,4H2,1-2H3,(H,13,14,15)/b12-3+
InChIKeyXUFHZOLKFRKXAC-KGVSQERTSA-N
MW263.13 g/mol
LogP1.96
Rot. Bonds4

About 1-[(2,6-dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol

1-[(2,6-dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (PubChem CID 91050598) has the molecular formula C9H12Cl2N4O and a molecular weight of 263.13 g/mol. Its IUPAC name is 1-[(2,6-dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2,6-dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
PubChem CID91050598
Molecular FormulaC9H12Cl2N4O
Molecular Weight263.13 g/mol
Exact Mass262.04
IUPAC Name1-[(2,6-dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILES[H]/N=C/c1c(Cl)nc(Cl)nc1NCC(C)(C)O
InChIInChI=1S/C9H12Cl2N4O/c1-9(2,16)4-13-7-5(3-12)6(10)14-8(11)15-7/h3,12,16H,4H2,1-2H3,(H,13,14,15)/b12-3+
InChIKeyXUFHZOLKFRKXAC-KGVSQERTSA-N
XLogP1.96
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2,6-dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (CID 91050598) is 1-[(2,6-dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2,6-dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2,6-dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is [H]/N=C/c1c(Cl)nc(Cl)nc1NCC(C)(C)O.
What is the InChIKey of 1-[(2,6-dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The InChIKey is XUFHZOLKFRKXAC-KGVSQERTSA-N. The full InChI is InChI=1S/C9H12Cl2N4O/c1-9(2,16)4-13-7-5(3-12)6(10)14-8(11)15-7/h3,12,16H,4H2,1-2H3,(H,13,14,15)/b12-3+.
What are the key properties of 1-[(2,6-dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
1-[(2,6-dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol has a molecular weight of 263.13 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichloro-5-methanimidoylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 91050598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).