2-chloro-5-phenoxypyrimidine;N-methylmethanamine

C12H14ClN3O — CID 87411766

IUPAC2-chloro-5-phenoxypyrimidine;N-methylmethanamine
SMILESCNC.Clc1ncc(Oc2ccccc2)cn1
InChIInChI=1S/C10H7ClN2O.C2H7N/c11-10-12-6-9(7-13-10)14-8-4-2-1-3-5-8;1-3-2/h1-7H;3H,1-2H3
InChIKeyVBRLYIFVFIDCOY-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.76
Rot. Bonds2

About 2-chloro-5-phenoxypyrimidine;N-methylmethanamine

2-chloro-5-phenoxypyrimidine;N-methylmethanamine (PubChem CID 87411766) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-chloro-5-phenoxypyrimidine;N-methylmethanamine.

Molecular Properties

Compound Name2-chloro-5-phenoxypyrimidine;N-methylmethanamine
PubChem CID87411766
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name2-chloro-5-phenoxypyrimidine;N-methylmethanamine
SMILESCNC.Clc1ncc(Oc2ccccc2)cn1
InChIInChI=1S/C10H7ClN2O.C2H7N/c11-10-12-6-9(7-13-10)14-8-4-2-1-3-5-8;1-3-2/h1-7H;3H,1-2H3
InChIKeyVBRLYIFVFIDCOY-UHFFFAOYSA-N
XLogP2.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-phenoxypyrimidine;N-methylmethanamine?
The IUPAC name of 2-chloro-5-phenoxypyrimidine;N-methylmethanamine (CID 87411766) is 2-chloro-5-phenoxypyrimidine;N-methylmethanamine.
What is the SMILES notation for 2-chloro-5-phenoxypyrimidine;N-methylmethanamine?
The canonical SMILES for 2-chloro-5-phenoxypyrimidine;N-methylmethanamine is CNC.Clc1ncc(Oc2ccccc2)cn1.
What is the InChIKey of 2-chloro-5-phenoxypyrimidine;N-methylmethanamine?
The InChIKey is VBRLYIFVFIDCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O.C2H7N/c11-10-12-6-9(7-13-10)14-8-4-2-1-3-5-8;1-3-2/h1-7H;3H,1-2H3.
What are the key properties of 2-chloro-5-phenoxypyrimidine;N-methylmethanamine?
2-chloro-5-phenoxypyrimidine;N-methylmethanamine has a molecular weight of 251.72 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-phenoxypyrimidine;N-methylmethanamine is sourced from PubChem (CID 87411766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).