4,6-dichloro-2-methyl-5-prop-2-enylpyrimidine

C8H8Cl2N2 — CID 13070837

IUPAC4,6-dichloro-2-methyl-5-prop-2-enylpyrimidine
SMILESC=CCc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C8H8Cl2N2/c1-3-4-6-7(9)11-5(2)12-8(6)10/h3H,1,4H2,2H3
InChIKeyAPGYFDQRXYNDHT-UHFFFAOYSA-N
MW203.07 g/mol
LogP2.82
Rot. Bonds2

About 4,6-dichloro-2-methyl-5-prop-2-enylpyrimidine

4,6-dichloro-2-methyl-5-prop-2-enylpyrimidine (PubChem CID 13070837) has the molecular formula C8H8Cl2N2 and a molecular weight of 203.07 g/mol. Its IUPAC name is 4,6-dichloro-2-methyl-5-prop-2-enylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-methyl-5-prop-2-enylpyrimidine
PubChem CID13070837
Molecular FormulaC8H8Cl2N2
Molecular Weight203.07 g/mol
Exact Mass202.01
IUPAC Name4,6-dichloro-2-methyl-5-prop-2-enylpyrimidine
SMILESC=CCc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C8H8Cl2N2/c1-3-4-6-7(9)11-5(2)12-8(6)10/h3H,1,4H2,2H3
InChIKeyAPGYFDQRXYNDHT-UHFFFAOYSA-N
XLogP2.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.07
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,6-Dichloro-2-cyclopropyl-5-methylpyrimidine
CID 54595731
2,4,6-Trichloro-5-ethylpyrimidine
CID 249455
5-Allyl-2,4,6-trichloropyrimidine
CID 260780
6-Chloro-2-methyl-5-(prop-2-en-1-yl)pyrimidin-4(3H)-imine
CID 913023
Pyrimidine, 4-amino-6-chloro-2-methyl-5-propyl-
CID 3025150
Pyrimidine, 4-amino-5-butyl-6-chloro-2-methyl-
CID 3025147
4-Pyrimidinamine, 6-chloro-N,2-dimethyl-5-(2-propenyl)-
CID 3070102
4,6-Dichloro-5-ethyl-2-methylpyrimidine
CID 21912425
4,6-Dichloro-2-ethyl-5-methylpyrimidine
CID 59943664
4,6-Dichloro-2-methyl-5-propylpyrimidine
CID 63611489
2,4,6-Trichloro-5-isopropylpyrimidine
CID 249009
5-Allyl-4,6-dichloropyrimidine
CID 519208

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methyl-5-prop-2-enylpyrimidine?
The IUPAC name of 4,6-dichloro-2-methyl-5-prop-2-enylpyrimidine (CID 13070837) is 4,6-dichloro-2-methyl-5-prop-2-enylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-methyl-5-prop-2-enylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-methyl-5-prop-2-enylpyrimidine is C=CCc1c(Cl)nc(C)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-methyl-5-prop-2-enylpyrimidine?
The InChIKey is APGYFDQRXYNDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2/c1-3-4-6-7(9)11-5(2)12-8(6)10/h3H,1,4H2,2H3.
What are the key properties of 4,6-dichloro-2-methyl-5-prop-2-enylpyrimidine?
4,6-dichloro-2-methyl-5-prop-2-enylpyrimidine has a molecular weight of 203.07 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-methyl-5-prop-2-enylpyrimidine is sourced from PubChem (CID 13070837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).