2-chloro-4-methoxypyrimidin-5-amine

C5H6ClN3O — CID 21186356

IUPAC2-chloro-4-methoxypyrimidin-5-amine
SMILESCOc1nc(Cl)ncc1N
InChIInChI=1S/C5H6ClN3O/c1-10-4-3(7)2-8-5(6)9-4/h2H,7H2,1H3
InChIKeyBTTZBKYSXZSBAS-UHFFFAOYSA-N
MW159.58 g/mol
LogP0.72
Rot. Bonds1

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

2-chloro-4-methoxypyrimidin-5-amine (PubChem CID 21186356) has the molecular formula C5H6ClN3O and a molecular weight of 159.58 g/mol. Its IUPAC name is 2-chloro-4-methoxypyrimidin-5-amine.

Molecular Properties

Compound Name2-chloro-4-methoxypyrimidin-5-amine
PubChem CID21186356
Molecular FormulaC5H6ClN3O
Molecular Weight159.58 g/mol
Exact Mass159.02
IUPAC Name2-chloro-4-methoxypyrimidin-5-amine
SMILESCOc1nc(Cl)ncc1N
InChIInChI=1S/C5H6ClN3O/c1-10-4-3(7)2-8-5(6)9-4/h2H,7H2,1H3
InChIKeyBTTZBKYSXZSBAS-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-4-methoxypyrimidin-5-amine?
The IUPAC name of 2-chloro-4-methoxypyrimidin-5-amine (CID 21186356) is 2-chloro-4-methoxypyrimidin-5-amine.
What is the SMILES notation for 2-chloro-4-methoxypyrimidin-5-amine?
The canonical SMILES for 2-chloro-4-methoxypyrimidin-5-amine is COc1nc(Cl)ncc1N.
What is the InChIKey of 2-chloro-4-methoxypyrimidin-5-amine?
The InChIKey is BTTZBKYSXZSBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O/c1-10-4-3(7)2-8-5(6)9-4/h2H,7H2,1H3.
What are the key properties of 2-chloro-4-methoxypyrimidin-5-amine?
2-chloro-4-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 2-chloro-4-methoxypyrimidin-5-amine is sourced from PubChem (CID 21186356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).