2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine

C14H13ClN2O — CID 55080893

IUPAC2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine
SMILESC/C=C/c1ccccc1Oc1cc(C)nc(Cl)n1
InChIInChI=1S/C14H13ClN2O/c1-3-6-11-7-4-5-8-12(11)18-13-9-10(2)16-14(15)17-13/h3-9H,1-2H3/b6-3+
InChIKeyXBBTYXOOGCHIQY-ZZXKWVIFSA-N
MW260.72 g/mol
LogP4.26
Rot. Bonds3

About 2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine

2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine (PubChem CID 55080893) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine
PubChem CID55080893
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine
SMILESC/C=C/c1ccccc1Oc1cc(C)nc(Cl)n1
InChIInChI=1S/C14H13ClN2O/c1-3-6-11-7-4-5-8-12(11)18-13-9-10(2)16-14(15)17-13/h3-9H,1-2H3/b6-3+
InChIKeyXBBTYXOOGCHIQY-ZZXKWVIFSA-N
XLogP4.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(2-prop-1-enylphenoxy)pyrimidine
CID 76940175
4-(2-bromophenoxy)-2-chloro-6-methylpyrimidine
CID 62477097
2-chloro-4-(2-ethoxyphenoxy)-6-methylpyrimidine
CID 55080992
2-chloro-4-(2,3-dimethylphenoxy)-6-methylpyrimidine
CID 62477434
6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
CID 80860267
4-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-2,4-diamine
CID 80860093
6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid
CID 107554634
2-cyclopropyl-N-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
CID 80957766
N-methyl-4-[2-[(E)-prop-1-enyl]phenoxy]pyrimidin-2-amine
CID 80860701
2-chloro-4-(2-prop-1-enylphenoxy)pyridine
CID 77005915
4-(2-tert-butyl-5-methylphenoxy)-2-chloro-6-methylpyrimidine
CID 63506097
N-[[6-(2-prop-1-enylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 76938437

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine?
The IUPAC name of 2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine (CID 55080893) is 2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine.
What is the SMILES notation for 2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine?
The canonical SMILES for 2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine is C/C=C/c1ccccc1Oc1cc(C)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine?
The InChIKey is XBBTYXOOGCHIQY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-3-6-11-7-4-5-8-12(11)18-13-9-10(2)16-14(15)17-13/h3-9H,1-2H3/b6-3+.
What are the key properties of 2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine?
2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine has a molecular weight of 260.72 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine is sourced from PubChem (CID 55080893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).