4-chloro-6-pyridin-3-yloxypyrimidin-2-amine

C9H7ClN4O — CID 47159152

IUPAC4-chloro-6-pyridin-3-yloxypyrimidin-2-amine
SMILESNc1nc(Cl)cc(Oc2cccnc2)n1
InChIInChI=1S/C9H7ClN4O/c10-7-4-8(14-9(11)13-7)15-6-2-1-3-12-5-6/h1-5H,(H2,11,13,14)
InChIKeyOUISULZZNVPGKV-UHFFFAOYSA-N
MW222.64 g/mol
LogP1.90
Rot. Bonds2

About 4-chloro-6-pyridin-3-yloxypyrimidin-2-amine

4-chloro-6-pyridin-3-yloxypyrimidin-2-amine (PubChem CID 47159152) has the molecular formula C9H7ClN4O and a molecular weight of 222.64 g/mol. Its IUPAC name is 4-chloro-6-pyridin-3-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-pyridin-3-yloxypyrimidin-2-amine
PubChem CID47159152
Molecular FormulaC9H7ClN4O
Molecular Weight222.64 g/mol
Exact Mass222.03
IUPAC Name4-chloro-6-pyridin-3-yloxypyrimidin-2-amine
SMILESNc1nc(Cl)cc(Oc2cccnc2)n1
InChIInChI=1S/C9H7ClN4O/c10-7-4-8(14-9(11)13-7)15-6-2-1-3-12-5-6/h1-5H,(H2,11,13,14)
InChIKeyOUISULZZNVPGKV-UHFFFAOYSA-N
XLogP1.90
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.64
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyridin-3-yloxypyrimidin-2-amine?
The IUPAC name of 4-chloro-6-pyridin-3-yloxypyrimidin-2-amine (CID 47159152) is 4-chloro-6-pyridin-3-yloxypyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-pyridin-3-yloxypyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-pyridin-3-yloxypyrimidin-2-amine is Nc1nc(Cl)cc(Oc2cccnc2)n1.
What is the InChIKey of 4-chloro-6-pyridin-3-yloxypyrimidin-2-amine?
The InChIKey is OUISULZZNVPGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O/c10-7-4-8(14-9(11)13-7)15-6-2-1-3-12-5-6/h1-5H,(H2,11,13,14).
What are the key properties of 4-chloro-6-pyridin-3-yloxypyrimidin-2-amine?
4-chloro-6-pyridin-3-yloxypyrimidin-2-amine has a molecular weight of 222.64 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyridin-3-yloxypyrimidin-2-amine is sourced from PubChem (CID 47159152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).