2-chloro-4-ethyl-6-[(E)-2-phenylethenyl]pyrimidin-5-ol

C14H13ClN2O — CID 130241555

IUPAC2-chloro-4-ethyl-6-[(E)-2-phenylethenyl]pyrimidin-5-ol
SMILESCCc1nc(Cl)nc(/C=C/c2ccccc2)c1O
InChIInChI=1S/C14H13ClN2O/c1-2-11-13(18)12(17-14(15)16-11)9-8-10-6-4-3-5-7-10/h3-9,18H,2H2,1H3/b9-8+
InChIKeyVVQQUNXLHIPXOZ-CMDGGOBGSA-N
MW260.72 g/mol
LogP3.57
Rot. Bonds3

About 2-chloro-4-ethyl-6-[(E)-2-phenylethenyl]pyrimidin-5-ol

2-chloro-4-ethyl-6-[(E)-2-phenylethenyl]pyrimidin-5-ol (PubChem CID 130241555) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-4-ethyl-6-[(E)-2-phenylethenyl]pyrimidin-5-ol.

Molecular Properties

Compound Name2-chloro-4-ethyl-6-[(E)-2-phenylethenyl]pyrimidin-5-ol
PubChem CID130241555
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name2-chloro-4-ethyl-6-[(E)-2-phenylethenyl]pyrimidin-5-ol
SMILESCCc1nc(Cl)nc(/C=C/c2ccccc2)c1O
InChIInChI=1S/C14H13ClN2O/c1-2-11-13(18)12(17-14(15)16-11)9-8-10-6-4-3-5-7-10/h3-9,18H,2H2,1H3/b9-8+
InChIKeyVVQQUNXLHIPXOZ-CMDGGOBGSA-N
XLogP3.57
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-ethyl-6-phenyl-5-[(Z)-prop-1-enyl]pyrimidine
CID 142570406
2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
CID 6439521
2-chloro-N-methyl-5-nitro-N-phenyl-6-(2-phenylethenyl)pyrimidin-4-amine
CID 3090149
2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
CID 70569152
CID 70569152
CID 70567885
CID 70567885
acetic acid;stilbene
CID 172803728
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
2-ethyl-6-methylsulfanyl-4-[4-[(E)-2-phenylethenyl]phenyl]phenol
CID 23597048
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
ethyl-dihydroxy-[(E)-2-phenylethenyl]silane
CID 10559740

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-6-[(E)-2-phenylethenyl]pyrimidin-5-ol?
The IUPAC name of 2-chloro-4-ethyl-6-[(E)-2-phenylethenyl]pyrimidin-5-ol (CID 130241555) is 2-chloro-4-ethyl-6-[(E)-2-phenylethenyl]pyrimidin-5-ol.
What is the SMILES notation for 2-chloro-4-ethyl-6-[(E)-2-phenylethenyl]pyrimidin-5-ol?
The canonical SMILES for 2-chloro-4-ethyl-6-[(E)-2-phenylethenyl]pyrimidin-5-ol is CCc1nc(Cl)nc(/C=C/c2ccccc2)c1O.
What is the InChIKey of 2-chloro-4-ethyl-6-[(E)-2-phenylethenyl]pyrimidin-5-ol?
The InChIKey is VVQQUNXLHIPXOZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-2-11-13(18)12(17-14(15)16-11)9-8-10-6-4-3-5-7-10/h3-9,18H,2H2,1H3/b9-8+.
What are the key properties of 2-chloro-4-ethyl-6-[(E)-2-phenylethenyl]pyrimidin-5-ol?
2-chloro-4-ethyl-6-[(E)-2-phenylethenyl]pyrimidin-5-ol has a molecular weight of 260.72 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-6-[(E)-2-phenylethenyl]pyrimidin-5-ol is sourced from PubChem (CID 130241555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).