5-chloro-4-methoxy-N,N,6-trimethylpyrimidin-2-amine

C8H12ClN3O — CID 70252117

IUPAC5-chloro-4-methoxy-N,N,6-trimethylpyrimidin-2-amine
SMILESCOc1nc(N(C)C)nc(C)c1Cl
InChIInChI=1S/C8H12ClN3O/c1-5-6(9)7(13-4)11-8(10-5)12(2)3/h1-4H3
InChIKeyCZZIDQGOECKMIR-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.51
Rot. Bonds2

About 5-chloro-4-methoxy-N,N,6-trimethylpyrimidin-2-amine

5-chloro-4-methoxy-N,N,6-trimethylpyrimidin-2-amine (PubChem CID 70252117) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 5-chloro-4-methoxy-N,N,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-methoxy-N,N,6-trimethylpyrimidin-2-amine
PubChem CID70252117
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name5-chloro-4-methoxy-N,N,6-trimethylpyrimidin-2-amine
SMILESCOc1nc(N(C)C)nc(C)c1Cl
InChIInChI=1S/C8H12ClN3O/c1-5-6(9)7(13-4)11-8(10-5)12(2)3/h1-4H3
InChIKeyCZZIDQGOECKMIR-UHFFFAOYSA-N
XLogP1.51
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxy-N,N,6-trimethylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-methoxy-N,N,6-trimethylpyrimidin-2-amine (CID 70252117) is 5-chloro-4-methoxy-N,N,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-methoxy-N,N,6-trimethylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-methoxy-N,N,6-trimethylpyrimidin-2-amine is COc1nc(N(C)C)nc(C)c1Cl.
What is the InChIKey of 5-chloro-4-methoxy-N,N,6-trimethylpyrimidin-2-amine?
The InChIKey is CZZIDQGOECKMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-5-6(9)7(13-4)11-8(10-5)12(2)3/h1-4H3.
What are the key properties of 5-chloro-4-methoxy-N,N,6-trimethylpyrimidin-2-amine?
5-chloro-4-methoxy-N,N,6-trimethylpyrimidin-2-amine has a molecular weight of 201.66 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxy-N,N,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 70252117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).