4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine

C7H10ClN3O — CID 66569543

IUPAC4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine
SMILESCOc1cnc(N(C)C)nc1Cl
InChIInChI=1S/C7H10ClN3O/c1-11(2)7-9-4-5(12-3)6(8)10-7/h4H,1-3H3
InChIKeyYCYQCEBMTBCORO-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.20
Rot. Bonds2

About 4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine

4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine (PubChem CID 66569543) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine
PubChem CID66569543
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine
SMILESCOc1cnc(N(C)C)nc1Cl
InChIInChI=1S/C7H10ClN3O/c1-11(2)7-9-4-5(12-3)6(8)10-7/h4H,1-3H3
InChIKeyYCYQCEBMTBCORO-UHFFFAOYSA-N
XLogP1.20
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine (CID 66569543) is 4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine is COc1cnc(N(C)C)nc1Cl.
What is the InChIKey of 4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine?
The InChIKey is YCYQCEBMTBCORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-11(2)7-9-4-5(12-3)6(8)10-7/h4H,1-3H3.
What are the key properties of 4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine?
4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine has a molecular weight of 187.63 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 66569543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).