4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine

C14H16ClN3O — CID 13413744

IUPAC4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine
SMILESCc1cccc(Oc2cc(Cl)nc(N(C)C)n2)c1C
InChIInChI=1S/C14H16ClN3O/c1-9-6-5-7-11(10(9)2)19-13-8-12(15)16-14(17-13)18(3)4/h5-8H,1-4H3
InChIKeyXOWMAXNJURGGQN-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.61
Rot. Bonds3

About 4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine

4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine (PubChem CID 13413744) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine
PubChem CID13413744
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine
SMILESCc1cccc(Oc2cc(Cl)nc(N(C)C)n2)c1C
InChIInChI=1S/C14H16ClN3O/c1-9-6-5-7-11(10(9)2)19-13-8-12(15)16-14(17-13)18(3)4/h5-8H,1-4H3
InChIKeyXOWMAXNJURGGQN-UHFFFAOYSA-N
XLogP3.61
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine (CID 13413744) is 4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine is Cc1cccc(Oc2cc(Cl)nc(N(C)C)n2)c1C.
What is the InChIKey of 4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is XOWMAXNJURGGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-6-5-7-11(10(9)2)19-13-8-12(15)16-14(17-13)18(3)4/h5-8H,1-4H3.
What are the key properties of 4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine?
4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 277.76 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,3-dimethylphenoxy)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 13413744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).