(2-amino-4,6-dichloropyrimidin-5-yl)methanol

C5H5Cl2N3O — CID 66545193

IUPAC(2-amino-4,6-dichloropyrimidin-5-yl)methanol
SMILESNc1nc(Cl)c(CO)c(Cl)n1
InChIInChI=1S/C5H5Cl2N3O/c6-3-2(1-11)4(7)10-5(8)9-3/h11H,1H2,(H2,8,9,10)
InChIKeyKNCSWCBPUXNVMR-UHFFFAOYSA-N
MW194.02 g/mol
LogP0.86
Rot. Bonds1

About (2-amino-4,6-dichloropyrimidin-5-yl)methanol

(2-amino-4,6-dichloropyrimidin-5-yl)methanol (PubChem CID 66545193) has the molecular formula C5H5Cl2N3O and a molecular weight of 194.02 g/mol. Its IUPAC name is (2-amino-4,6-dichloropyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(2-amino-4,6-dichloropyrimidin-5-yl)methanol
PubChem CID66545193
Molecular FormulaC5H5Cl2N3O
Molecular Weight194.02 g/mol
Exact Mass192.98
IUPAC Name(2-amino-4,6-dichloropyrimidin-5-yl)methanol
SMILESNc1nc(Cl)c(CO)c(Cl)n1
InChIInChI=1S/C5H5Cl2N3O/c6-3-2(1-11)4(7)10-5(8)9-3/h11H,1H2,(H2,8,9,10)
InChIKeyKNCSWCBPUXNVMR-UHFFFAOYSA-N
XLogP0.86
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.02
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4,6-dichloropyrimidin-5-yl)methanol?
The IUPAC name of (2-amino-4,6-dichloropyrimidin-5-yl)methanol (CID 66545193) is (2-amino-4,6-dichloropyrimidin-5-yl)methanol.
What is the SMILES notation for (2-amino-4,6-dichloropyrimidin-5-yl)methanol?
The canonical SMILES for (2-amino-4,6-dichloropyrimidin-5-yl)methanol is Nc1nc(Cl)c(CO)c(Cl)n1.
What is the InChIKey of (2-amino-4,6-dichloropyrimidin-5-yl)methanol?
The InChIKey is KNCSWCBPUXNVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N3O/c6-3-2(1-11)4(7)10-5(8)9-3/h11H,1H2,(H2,8,9,10).
What are the key properties of (2-amino-4,6-dichloropyrimidin-5-yl)methanol?
(2-amino-4,6-dichloropyrimidin-5-yl)methanol has a molecular weight of 194.02 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4,6-dichloropyrimidin-5-yl)methanol is sourced from PubChem (CID 66545193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).