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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Related Compounds

CID 385221
CID 385221
CID 9571515
CID 9571515
CID 155566214
CID 155566214
CID 164049053
CID 164049053
CID 103724808
CID 103724808
CID 105648228
CID 105648228
CID 105648255
CID 105648255
CID 105648324
CID 105648324
CID 105648325
CID 105648325
CID 105648353
CID 105648353
CID 134097430
CID 134097430
CID 18753217
CID 18753217

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).