[4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol

C11H9Cl2N3O — CID 28905263

IUPAC[4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol
SMILESOCc1cncnc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H9Cl2N3O/c12-8-2-1-3-9(10(8)13)16-11-7(5-17)4-14-6-15-11/h1-4,6,17H,5H2,(H,14,15,16)
InChIKeyWQRSOUQCKPKYQW-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.02
Rot. Bonds3

About [4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol

[4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol (PubChem CID 28905263) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is [4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol
PubChem CID28905263
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name[4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol
SMILESOCc1cncnc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C11H9Cl2N3O/c12-8-2-1-3-9(10(8)13)16-11-7(5-17)4-14-6-15-11/h1-4,6,17H,5H2,(H,14,15,16)
InChIKeyWQRSOUQCKPKYQW-UHFFFAOYSA-N
XLogP3.02
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol?
The IUPAC name of [4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol (CID 28905263) is [4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol?
The canonical SMILES for [4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol is OCc1cncnc1Nc1cccc(Cl)c1Cl.
What is the InChIKey of [4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol?
The InChIKey is WQRSOUQCKPKYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c12-8-2-1-3-9(10(8)13)16-11-7(5-17)4-14-6-15-11/h1-4,6,17H,5H2,(H,14,15,16).
What are the key properties of [4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol?
[4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol has a molecular weight of 270.12 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichloroanilino)pyrimidin-5-yl]methanol is sourced from PubChem (CID 28905263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).