2-chloro-4,6-dimethoxypyrimidin-5-amine

C6H8ClN3O2 — CID 20745765

IUPAC2-chloro-4,6-dimethoxypyrimidin-5-amine
SMILESCOc1nc(Cl)nc(OC)c1N
InChIInChI=1S/C6H8ClN3O2/c1-11-4-3(8)5(12-2)10-6(7)9-4/h8H2,1-2H3
InChIKeyLKRMQCPKYCVJAT-UHFFFAOYSA-N
MW189.60 g/mol
LogP0.73
Rot. Bonds2

About 2-chloro-4,6-dimethoxypyrimidin-5-amine

2-chloro-4,6-dimethoxypyrimidin-5-amine (PubChem CID 20745765) has the molecular formula C6H8ClN3O2 and a molecular weight of 189.60 g/mol. Its IUPAC name is 2-chloro-4,6-dimethoxypyrimidin-5-amine.

Molecular Properties

Compound Name2-chloro-4,6-dimethoxypyrimidin-5-amine
PubChem CID20745765
Molecular FormulaC6H8ClN3O2
Molecular Weight189.60 g/mol
Exact Mass189.03
IUPAC Name2-chloro-4,6-dimethoxypyrimidin-5-amine
SMILESCOc1nc(Cl)nc(OC)c1N
InChIInChI=1S/C6H8ClN3O2/c1-11-4-3(8)5(12-2)10-6(7)9-4/h8H2,1-2H3
InChIKeyLKRMQCPKYCVJAT-UHFFFAOYSA-N
XLogP0.73
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethoxypyrimidin-5-amine?
The IUPAC name of 2-chloro-4,6-dimethoxypyrimidin-5-amine (CID 20745765) is 2-chloro-4,6-dimethoxypyrimidin-5-amine.
What is the SMILES notation for 2-chloro-4,6-dimethoxypyrimidin-5-amine?
The canonical SMILES for 2-chloro-4,6-dimethoxypyrimidin-5-amine is COc1nc(Cl)nc(OC)c1N.
What is the InChIKey of 2-chloro-4,6-dimethoxypyrimidin-5-amine?
The InChIKey is LKRMQCPKYCVJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O2/c1-11-4-3(8)5(12-2)10-6(7)9-4/h8H2,1-2H3.
What are the key properties of 2-chloro-4,6-dimethoxypyrimidin-5-amine?
2-chloro-4,6-dimethoxypyrimidin-5-amine has a molecular weight of 189.60 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethoxypyrimidin-5-amine is sourced from PubChem (CID 20745765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).