2-chloro-N-ethyl-5-methoxy-N-methylpyrimidin-4-amine

C8H12ClN3O — CID 170388409

IUPAC2-chloro-N-ethyl-5-methoxy-N-methylpyrimidin-4-amine
SMILESCCN(C)c1nc(Cl)ncc1OC
InChIInChI=1S/C8H12ClN3O/c1-4-12(2)7-6(13-3)5-10-8(9)11-7/h5H,4H2,1-3H3
InChIKeyFZPFGZIFMFSXGT-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.59
Rot. Bonds3

About 2-chloro-N-ethyl-5-methoxy-N-methylpyrimidin-4-amine

2-chloro-N-ethyl-5-methoxy-N-methylpyrimidin-4-amine (PubChem CID 170388409) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-chloro-N-ethyl-5-methoxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-5-methoxy-N-methylpyrimidin-4-amine
PubChem CID170388409
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-chloro-N-ethyl-5-methoxy-N-methylpyrimidin-4-amine
SMILESCCN(C)c1nc(Cl)ncc1OC
InChIInChI=1S/C8H12ClN3O/c1-4-12(2)7-6(13-3)5-10-8(9)11-7/h5H,4H2,1-3H3
InChIKeyFZPFGZIFMFSXGT-UHFFFAOYSA-N
XLogP1.59
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-5-methoxy-N-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-5-methoxy-N-methylpyrimidin-4-amine (CID 170388409) is 2-chloro-N-ethyl-5-methoxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-5-methoxy-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-5-methoxy-N-methylpyrimidin-4-amine is CCN(C)c1nc(Cl)ncc1OC.
What is the InChIKey of 2-chloro-N-ethyl-5-methoxy-N-methylpyrimidin-4-amine?
The InChIKey is FZPFGZIFMFSXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-4-12(2)7-6(13-3)5-10-8(9)11-7/h5H,4H2,1-3H3.
What are the key properties of 2-chloro-N-ethyl-5-methoxy-N-methylpyrimidin-4-amine?
2-chloro-N-ethyl-5-methoxy-N-methylpyrimidin-4-amine has a molecular weight of 201.66 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-5-methoxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 170388409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).