4-chloro-6-methoxypyrimidin-5-amine

C5H6ClN3O — CID 817701

IUPAC4-chloro-6-methoxypyrimidin-5-amine
SMILESCOc1ncnc(Cl)c1N
InChIInChI=1S/C5H6ClN3O/c1-10-5-3(7)4(6)8-2-9-5/h2H,7H2,1H3
InChIKeySDMMBMBLFCTDIJ-UHFFFAOYSA-N
MW159.58 g/mol
LogP0.72
Rot. Bonds1

About 4-chloro-6-methoxypyrimidin-5-amine

4-chloro-6-methoxypyrimidin-5-amine (PubChem CID 817701) has the molecular formula C5H6ClN3O and a molecular weight of 159.58 g/mol. Its IUPAC name is 4-chloro-6-methoxypyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-methoxypyrimidin-5-amine
PubChem CID817701
Molecular FormulaC5H6ClN3O
Molecular Weight159.58 g/mol
Exact Mass159.02
IUPAC Name4-chloro-6-methoxypyrimidin-5-amine
SMILESCOc1ncnc(Cl)c1N
InChIInChI=1S/C5H6ClN3O/c1-10-5-3(7)4(6)8-2-9-5/h2H,7H2,1H3
InChIKeySDMMBMBLFCTDIJ-UHFFFAOYSA-N
XLogP0.72
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.58
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxypyrimidin-5-amine?
The IUPAC name of 4-chloro-6-methoxypyrimidin-5-amine (CID 817701) is 4-chloro-6-methoxypyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-methoxypyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-methoxypyrimidin-5-amine is COc1ncnc(Cl)c1N.
What is the InChIKey of 4-chloro-6-methoxypyrimidin-5-amine?
The InChIKey is SDMMBMBLFCTDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O/c1-10-5-3(7)4(6)8-2-9-5/h2H,7H2,1H3.
What are the key properties of 4-chloro-6-methoxypyrimidin-5-amine?
4-chloro-6-methoxypyrimidin-5-amine has a molecular weight of 159.58 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxypyrimidin-5-amine is sourced from PubChem (CID 817701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).