2-chloro-5-methoxypyrimidin-4-amine

C5H6ClN3O — CID 56949538

IUPAC2-chloro-5-methoxypyrimidin-4-amine
SMILESCOc1cnc(Cl)nc1N
InChIInChI=1S/C5H6ClN3O/c1-10-3-2-8-5(6)9-4(3)7/h2H,1H3,(H2,7,8,9)
InChIKeyORUMXWAUZBTDLW-UHFFFAOYSA-N
MW159.58 g/mol
LogP0.72
Rot. Bonds1

About 2-chloro-5-methoxypyrimidin-4-amine

2-chloro-5-methoxypyrimidin-4-amine (PubChem CID 56949538) has the molecular formula C5H6ClN3O and a molecular weight of 159.58 g/mol. Its IUPAC name is 2-chloro-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-methoxypyrimidin-4-amine
PubChem CID56949538
Molecular FormulaC5H6ClN3O
Molecular Weight159.58 g/mol
Exact Mass159.02
IUPAC Name2-chloro-5-methoxypyrimidin-4-amine
SMILESCOc1cnc(Cl)nc1N
InChIInChI=1S/C5H6ClN3O/c1-10-3-2-8-5(6)9-4(3)7/h2H,1H3,(H2,7,8,9)
InChIKeyORUMXWAUZBTDLW-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 2-chloro-5-methoxypyrimidin-4-amine?
The IUPAC name of 2-chloro-5-methoxypyrimidin-4-amine (CID 56949538) is 2-chloro-5-methoxypyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-methoxypyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-methoxypyrimidin-4-amine is COc1cnc(Cl)nc1N.
What is the InChIKey of 2-chloro-5-methoxypyrimidin-4-amine?
The InChIKey is ORUMXWAUZBTDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O/c1-10-3-2-8-5(6)9-4(3)7/h2H,1H3,(H2,7,8,9).
What are the key properties of 2-chloro-5-methoxypyrimidin-4-amine?
2-chloro-5-methoxypyrimidin-4-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 2-chloro-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 56949538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).