4-chloro-6-ethyl-1-methyl-2-methylidenepyrimidine

C8H11ClN2 — CID 90990494

IUPAC4-chloro-6-ethyl-1-methyl-2-methylidenepyrimidine
SMILESC=C1N=C(Cl)C=C(CC)N1C
InChIInChI=1S/C8H11ClN2/c1-4-7-5-8(9)10-6(2)11(7)3/h5H,2,4H2,1,3H3
InChIKeyFJGUCRWCXDDELQ-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.33
Rot. Bonds1

About 4-chloro-6-ethyl-1-methyl-2-methylidenepyrimidine

4-chloro-6-ethyl-1-methyl-2-methylidenepyrimidine (PubChem CID 90990494) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 4-chloro-6-ethyl-1-methyl-2-methylidenepyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-1-methyl-2-methylidenepyrimidine
PubChem CID90990494
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name4-chloro-6-ethyl-1-methyl-2-methylidenepyrimidine
SMILESC=C1N=C(Cl)C=C(CC)N1C
InChIInChI=1S/C8H11ClN2/c1-4-7-5-8(9)10-6(2)11(7)3/h5H,2,4H2,1,3H3
InChIKeyFJGUCRWCXDDELQ-UHFFFAOYSA-N
XLogP2.33
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4,6-tetramethyl-2H-pyrimidine
CID 407923
1,3,4,6-tetramethyl-2H-pyrimidin-3-ium
CID 21342158
1,4,6-trimethyl-2H-pyrimidine
CID 53786617
1,4,6-Trimethyl-2-methylidenepyrimidine
CID 123254644
4-Chloro-1,6-dimethyl-2-methylidenepyrimidine
CID 123459081
1,3,4,6-Tetramethyl-2-methylidenepyrimidin-1-ium
CID 123739476
(2E)-1,4,6-trimethyl-2-prop-2-enylidenepyrimidine
CID 143477369
(1,4,6-Trimethylpyrimidin-2-ylidene)methanimine
CID 23423845

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-1-methyl-2-methylidenepyrimidine?
The IUPAC name of 4-chloro-6-ethyl-1-methyl-2-methylidenepyrimidine (CID 90990494) is 4-chloro-6-ethyl-1-methyl-2-methylidenepyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-1-methyl-2-methylidenepyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-1-methyl-2-methylidenepyrimidine is C=C1N=C(Cl)C=C(CC)N1C.
What is the InChIKey of 4-chloro-6-ethyl-1-methyl-2-methylidenepyrimidine?
The InChIKey is FJGUCRWCXDDELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-4-7-5-8(9)10-6(2)11(7)3/h5H,2,4H2,1,3H3.
What are the key properties of 4-chloro-6-ethyl-1-methyl-2-methylidenepyrimidine?
4-chloro-6-ethyl-1-methyl-2-methylidenepyrimidine has a molecular weight of 170.64 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-1-methyl-2-methylidenepyrimidine is sourced from PubChem (CID 90990494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).